matter.farm

Computer-generated molecule database for public drug discovery. About this project.

These compounds may interact with:

ALK tyrosine kinase receptor

Potentially involved in: lung cancer; cancer; neuroblastoma; melanoma; kidney cancer; carcinoma; skin cancer; allergic hypersensitivity disease; adenocarcinoma in situ; allergic rhinitis; alcoholic intoxication, chronic; brain neoplasms; non-small cell lung carcinoma; renal cell carcinoma; neoplastic cell transformation; mental depression; depressive disorder; granuloma, plasma cell; neoplasm metastasis; neoplasm recurrence, local

Disease data sourced from Pharos.

Antagonist

FORMULA:C27H44N2O4S

SMILES: CN(C)CCCCCCCCCCCCCC[C@@H](NC(=O)c1ccc(O[C@@H]2CS2)cc1)C(=O)O

BIRTHDAY: 2018-12-01T14:11:38.267301
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C28H36F2N4

SMILES: CN(C)C(C)(C)[C@H]1CCC=CC[C@]2(NC=C3C=CC=C[C@@]32F)N[C@@]2(C1)NC=C1C=CC=C[C@]12F

BIRTHDAY: 2018-12-01T14:11:38.277485
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C26H37NO

SMILES: CC(C)C[C@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1C(C)(C)C

BIRTHDAY: 2018-12-01T14:11:38.286200
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C31H46N2O4

SMILES: C[C@@H]([C@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-12-01T14:11:38.296064
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C29H35N3O3

SMILES: CN(C)C(C)(C)Oc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)(C)C)cc2)c1

BIRTHDAY: 2018-12-01T14:11:38.305811
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H35F3N2

SMILES: C[C@@H]1C[C@@H](C)[C@@H](c2cc(F)c(F)cc2F)CCCCNCCNC(C)(C)C1

BIRTHDAY: 2018-12-01T14:11:38.314117
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C24H25ClN6O4

SMILES: O=C1NCc2c(c(OCCCN3CCOCC3)cc3ncnc(Nc4cccc(Cl)c4)c23)C(=O)N1

BIRTHDAY: 2018-12-01T14:11:38.325381
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H27N5O4

SMILES: COc1cccc(Nc2ncc(C(=O)NCc3ccc(C(=O)O)cc3)c(NC3CCCC3)n2)c1

BIRTHDAY: 2018-12-01T14:11:38.335970
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C32H28N4O5

SMILES: O=C(Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)c2)cc1)c1ccccc1

BIRTHDAY: 2018-12-01T14:11:38.347713
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H15N3O3S2

SMILES: CC1(C)CSc2c3nc4cccc(OCC(=O)O)c4c-3c(C#N)cn2S1

BIRTHDAY: 2018-12-01T14:11:38.356912
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C26H26N2O5

SMILES: COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1NC(=O)c1ccc(C(C)(C)C)cc1

BIRTHDAY: 2018-12-01T14:11:38.366548
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C33H35N3O2

SMILES: CC1(C)C[C@@H]2C[C@H]3C=CC=C(O[C@@]4(c5ccn[nH]5)N=CC=C5C=CC=C[C@@H]54)[C@@]31[C@@H]([C@H](O)c1ccccc1)C2

BIRTHDAY: 2018-12-01T14:11:38.377729
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C24H28N4O4

SMILES: COc1ccc(C(=O)NC(C)(C)C)cc1Nc1nccc(-c2ccc(OC)c(OC)c2)n1

BIRTHDAY: 2018-12-01T14:11:38.387681
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H28N4O4

SMILES: COc1cccc(Nc2cnc(-c3c(OC)cccc3OC)nc2)c1C(=O)NC(C)(C)C

BIRTHDAY: 2018-12-01T14:11:38.397742
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C31H36N2O4

SMILES: C=C(C(=O)Nc1cccc(C(=O)Nc2ccccc2C(C)C)c1)c1c(OC)ccc(OC)c1C(C)(C)C

BIRTHDAY: 2018-12-25T02:03:41.062554
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C21H26F2N6O

SMILES: CC1(C)CC[C@H]2COC[C@]1(Nc1nc(Nc3cccc(F)c3F)nc3c1NCC3)N2

BIRTHDAY: 2018-12-25T02:03:41.073220
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H25N7O

SMILES: CC1(C)CCN1c1nc(NCc2cccc(C#N)c2)nc2ncn([C@@H]3CCCO3)c12

BIRTHDAY: 2018-12-25T02:03:41.083075
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C24H27FN6O2

SMILES: CC1(C)NC(=O)[C@@H]2CC[C@@H]1N2[C@]12C=NC=N[C@]1(NCc1ccc(F)cc1)C=CC=C2C(N)=O

BIRTHDAY: 2018-12-25T02:03:41.093831
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C32H45N5O3S

SMILES: C[C@H]1ON=C(CCCCCCCCCN(C)C)N1c1ccc(NC(=O)c2ccc3c(c2)CSNC(=O)C3(C)C)cc1

BIRTHDAY: 2018-12-25T02:03:41.105434
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C22H26N6O

SMILES: Cc1cc(C)cc(NC(=O)c2ncc(N[C@H]3C[C@H]4CC(C)(C)[C@@H]3N4)c(C#N)n2)c1

BIRTHDAY: 2018-12-25T02:03:41.114642
ATC: A05B
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- LIVER THERAPY, LIPOTROPICS
Synthesis Plan
FORMULA:C23H24N4O6

SMILES: COc1ccc(OC)c(-c2ncc(Nc3cccc(OC)c3C(=O)N[C@@H](C)C(=O)O)cn2)c1

BIRTHDAY: 2018-12-25T02:03:41.125179
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C24H29ClN6O3

SMILES: CC(C)(OC1=C2C(=O)CNCN[C@@]23C=NC=N[C@@]3(Nc2ccccc2Cl)C=C1)N1CCOCC1

BIRTHDAY: 2018-12-25T02:03:41.136518
ATC: H02A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
Synthesis Plan
FORMULA:C19H21NO6

SMILES: COC1=CC2=[O+][N-]/C(=C/c3cc(OC)c(OC)c(OC)c3)[C@H]2C=C1OC

BIRTHDAY: 2018-12-25T02:03:41.145372
ATC: S01F
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- MYDRIATICS AND CYCLOPLEGICS
Synthesis Plan
FORMULA:C37H57N2O7Sb

SMILES: C[C@@H](c1cc(-c2cccc(NC(=O)CCCCCCCCCCCCCCCCN(C)C)c2)cc(C23CO[Sb](OC2)O3)c1O)C(O)O

BIRTHDAY: 2018-12-25T02:03:41.157955
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H25N3O3

SMILES: Cc1nc(COc2ccc3c(c2)[C@H]2CCC(=O)N[C@@H](O3)C2(C)C)[nH]c1C

BIRTHDAY: 2018-12-25T02:03:41.166468
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C22H24N2O3

SMILES: CC1=C(N)C(=O)C2=CC(=O)[C@@]34O[C@H]5[C@H]6[C@H]7[C@H]8[C@H]5[C@@]3([C@H]8[C@@H]([C@H]64)C7(C)C)[C@@]2(C)N1

BIRTHDAY: 2018-12-25T02:03:41.176157
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H26Cl2N2O

SMILES: CC1(C)NC[C@]23N=C(c4cccc(Cl)c4Cl)[C@@]4(C(C)(C)C)C=CC=C[C@@]24[C@@H]1O3

BIRTHDAY: 2018-12-25T02:03:41.185461
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C22H15FN4O3

SMILES: O=C(Nc1cccc([C@]23C=CC=C[C@]2(c2ncno2)OC=N3)c1)c1ccccc1F

BIRTHDAY: 2018-12-25T02:03:41.195449
ATC: A14A
- ALIMENTARY TRACT AND METABOLISM
- ANABOLIC AGENTS FOR SYSTEMIC USE
- ANABOLIC STEROIDS
Synthesis Plan
FORMULA:C24H28N4O4

SMILES: COc1cccc(C(=O)NC(C)(C)C)c1Nc1cnc(-c2c(OC)cccc2OC)nc1

BIRTHDAY: 2018-12-25T02:03:41.205264
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C25H23N3O3

SMILES: CC1(C)N[C@H]2C[C@H]1[C@]21N=C2C=CC=C[C@]2(NC(=O)c2ccccc2-c2ccoc2)C1=O

BIRTHDAY: 2018-12-25T02:03:41.215246
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C16H24O2

SMILES: CC1(C)C[C@H]2C[C@@]3(C=C(O)C=C[C@@H]3OC2(C)C)C1

BIRTHDAY: 2018-12-03T02:39:46.671657
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis Plan
FORMULA:C19H22N2O2

SMILES: CC(C)NC[C@@H](O)COc1ccccc1-c1ccccc1C#N

BIRTHDAY: 2018-12-03T02:39:46.679270
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C24H25FN4O4

SMILES: C[C@@H]1CC(=O)C2=C(C1)N[C@@]1(/C=C3/C(=O)Nc4ccc(F)cc43)[C@H]3O[C@@](N)(C(=O)NC3(C)C)[C@@H]21

BIRTHDAY: 2018-12-03T02:39:46.700922
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H26N2O3

SMILES: COc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)(C)C)cc2)c1

BIRTHDAY: 2018-12-03T02:39:46.709746
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H28N4O6

SMILES: COc1cccc(-c2ncc(Nc3cccc(OC)c3C(=O)N[C@@H](C)[C@@H](O)CO)cn2)c1OC

BIRTHDAY: 2018-12-03T02:39:46.720612
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C11H21N2O6P

SMILES: CC1(C)C(=O)C(=O)OP[C@]1(C)[C@H](O)[C@H](O)[C@H](O)C(N)N

BIRTHDAY: 2018-12-03T02:39:46.729458
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C36H55N3O

SMILES: C[C@@H](NC(=O)c1ccccc1-c1cccc(C#N)c1)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-12-03T02:39:46.739183
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C17H18FN5O4S

SMILES: CC1(C)OC[C@@H]2O[C@@H](c3ccc(F)cc32)N1CC(=O)Nc1nnc(C(N)=O)s1

BIRTHDAY: 2018-12-03T02:39:46.749805
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C31H47N3O2

SMILES: CN(C)CCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2cccc(C(N)=O)c2)cc1

BIRTHDAY: 2018-12-03T02:39:46.758797
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H28N3O6RuS

SMILES: Cc1c(CCCC(C)C)c(=O)on1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C([NH-])=O.[Ru+]

BIRTHDAY: 2018-12-03T02:39:46.769482
ATC: C04A
- CARDIOVASCULAR SYSTEM
- PERIPHERAL VASODILATORS
- PERIPHERAL VASODILATORS
Synthesis Plan
FORMULA:C35H59N7

SMILES: CC(C)[C@@H](CCCCCCCCCCCCCCN(C)C)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

BIRTHDAY: 2018-12-03T02:39:46.780357
ATC: J01E
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- SULFONAMIDES AND TRIMETHOPRIM
Synthesis Plan
FORMULA:C31H51N5O

SMILES: CNc1ccncc1-c1c(N)cccc1NC(=O)CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-12-03T02:39:46.789952
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C15H19Cl2N3O

SMILES: CN(C)c1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C(C)(C)C

BIRTHDAY: 2018-12-03T02:39:46.797763
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C35H37N5O5

SMILES: COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2[C@H](O)[C@]2(C)N[C@@H](C)c3cccc(c3)NCCNC2=O)c1

BIRTHDAY: 2018-12-03T02:39:46.812229
ATC: G03A
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C24H31NO

SMILES: CC(C)NC[C@H](O)c1ccc2c(c1)[C@@]1(Cc3ccccc3C2)CC1(C)C

BIRTHDAY: 2018-12-03T02:39:46.819682
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C32H47N3O

SMILES: CN(C)CCCCCCCCCCCCCCCCNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1

BIRTHDAY: 2018-12-03T02:39:46.828338
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C20H23N2O3Ru

SMILES: C[C-](C)OC(=O)Nc1ccccc1C(=O)Nc1cccc(C(C)C)c1.[Ru+]

BIRTHDAY: 2018-11-30T03:41:42.438930
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C17H24N2O2

SMILES: CC1(C)CNCCOCCCCc2ccc(C#N)cc2O1

BIRTHDAY: 2018-11-30T03:41:42.456002
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis plan pending
FORMULA:C20H31N3O4

SMILES: CC1(C)CCCNC[C@@H](c2ccccc2O)NCCC(=O)C(=O)OCCN1

BIRTHDAY: 2018-11-30T03:41:42.464864
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis plan pending
FORMULA:C31H46N2O4

SMILES: C[C@H]([C@@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-11-30T03:41:42.474655
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis plan pending
FORMULA:C23H24N4O6

SMILES: COc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1Nc1nccc(-c2ccc(OC)c(OC)c2)n1

BIRTHDAY: 2018-11-30T03:41:42.485107
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C15H18N4O4

SMILES: CC(C)NC(=O)c1ccccc1NC(=O)CCc1n[nH]c(=O)o1

BIRTHDAY: 2018-11-30T03:41:42.493612
ATC: R03B
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
Synthesis plan pending
FORMULA:C28H34N6O4

SMILES: COc1cc(C(=O)N(C)CCO)ccc1Nc1ncnc2c[nH]c(-c3ccc(OCCCN(C)C)cc3)c12

BIRTHDAY: 2018-11-30T03:41:42.505250
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C24H29ClN6O3

SMILES: CC(C)(OC1=CC2=C(NCNCC2=O)[C@]2(Nc3ccccc3Cl)N=CN=C[C@H]12)N1CCOCC1

BIRTHDAY: 2018-11-30T03:41:42.526520
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C18H22N6O2

SMILES: CC(C)C[C@@H](C)C(=O)Nc1cccc(-c2nc3c(N)nc(N)nc3o2)c1

BIRTHDAY: 2018-11-30T03:41:42.535614
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis plan pending
FORMULA:C34H35F3N4O3S

SMILES: CC(C)CNC(=O)c1c2ncnc1-c1cccc(c1)CNCCCCCOc1cccc(c1-c1ccccc1OC(F)(F)F)S2

BIRTHDAY: 2018-11-30T03:41:42.549133
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C23H24N4O2

SMILES: COc1ccccc1-c1cc(C#N)nc(N)c1-c1ccccc1O[C@H](C)N(C)C

BIRTHDAY: 2018-11-30T03:41:42.558348
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis plan pending
FORMULA:C35H55N3O2

SMILES: CN(C)CCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1

BIRTHDAY: 2018-11-30T03:41:42.567655
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C31H47N5O

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1cccc(N)c1-c1ccncc1C#N

BIRTHDAY: 2018-11-30T03:41:42.586598
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis plan pending
FORMULA:C23H23F3N4O3

SMILES: COc1cc(C(C)C)ccc1Nc1nccc(C(=O)Nc2ccccc2[C@H](O)C(F)(F)F)n1

BIRTHDAY: 2018-11-19T08:12:51.274428
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C26H24F2N2Se

SMILES: CC1(C)CC[Se]N1[C@@H]1C=c2ccc(F)cc2=N[C@]12C=CC=CC(c1cccc(F)c1)=C2

BIRTHDAY: 2018-11-19T08:12:51.284040
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C14H14N6O2

SMILES: CC1N=[NH+][C@@](C)(C(=O)Nc2ccc([O-])cc2)[C@]1(C#N)[CH-][N+]#N

BIRTHDAY: 2018-11-19T08:12:51.293649
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis plan pending
FORMULA:C35H58N6O4S

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@H](NC(=O)c1ccccc1Oc1ccccc1)[C@@]1(C)CNC(N)(N)NS1(=O)=O

BIRTHDAY: 2018-11-19T08:12:51.306986
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis plan pending
FORMULA:C11H11NSe

SMILES: CC1(C)C[Se]c2ccc(C#N)cc21

BIRTHDAY: 2018-11-19T08:12:51.312769
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis plan pending
FORMULA:C32H48N2O4

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:51.322586
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:C24H33NO3

SMILES: C[C@@H](Oc1ccccc1[C@@]1(c2ccccc2)OCOC(C)(C)C1(C)C)N(C)C

BIRTHDAY: 2018-11-19T08:12:51.331509
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:C23H29NO2

SMILES: CC(C)c1[nH]c(/C=C\c2ccc(O)cc2)c2c1[C@H]1CC(C)(C)[C@@H]2CCO1

BIRTHDAY: 2018-11-19T08:12:51.339555
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis plan pending
FORMULA:C19H27N7O

SMILES: CC(C)n1cnc2c(NCc3cccnc3)nc(N[C@H](C)C(C)(C)O)nc21

BIRTHDAY: 2018-11-19T08:12:51.350697
ATC: D06A
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- ANTIBIOTICS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C29H34ClN5O3

SMILES: NC(=O)c1cccc(N2C[C@H]3CC[C@@H](CC(c4ccnc(Nc5ccc(OCCCO)c(Cl)c5)n4)C3)C2)c1

BIRTHDAY: 2018-11-19T08:12:51.362002
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C20H23NO3

SMILES: C=C(C(=O)O)C1=CC=C[C@@]23C(O)=CC=C[C@@]12CN1C[C@@H]3CC1(C)C

BIRTHDAY: 2018-11-19T08:12:51.370247
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis plan pending
FORMULA:C11H21NO2

SMILES: CCN[C@]12C[C@](C)(CO1)C(C)(C)CO2

BIRTHDAY: 2018-11-19T08:12:51.376435
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis plan pending
FORMULA:C19H21NO4S

SMILES: COc1ccc(NC(=O)c2ccc([C@]3(C)COCS3)cc2)cc1OC

BIRTHDAY: 2018-11-19T08:12:51.384725
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C26H40N2O2

SMILES: CC(C)CC(=O)NC1([C@H](C)N2CCCC[C@H]2c2ccc3c(c2)CCO3)CCCCC1

BIRTHDAY: 2018-11-19T08:12:51.393777
ATC: J01E
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- SULFONAMIDES AND TRIMETHOPRIM
Synthesis plan pending
FORMULA:C28H26N8O

SMILES: CC(C)NC(=O)c1cccc2c1[C@@]1(Nc3ccccc3C#N)N=C(NCc3ccncc3)N=CC1=NC2

BIRTHDAY: 2018-11-19T08:12:51.405786
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C15H19NO3

SMILES: CC1(C)C[C@H]2C[C@H]3CCO[C@]4(C(=O)C=CC(=O)[C@@H]24)N31

BIRTHDAY: 2018-11-19T08:12:51.413604
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis plan pending
FORMULA:C15H14FN3OS2

SMILES: CC1(C)NS[C@]2(N=C(c3ccco3)c3cc(F)ccc3N2)S1

BIRTHDAY: 2018-11-19T08:12:51.422533
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C28H33N3O3

SMILES: C[C@@H](Oc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)(C)C)cc2)c1)N(C)C

BIRTHDAY: 2018-11-19T08:12:51.432316
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis plan pending
FORMULA:C22H34FN3O2

SMILES: CC1(C)CCCCCCN[C@@H](N2C(=O)C(=O)[C@@H]3C=CC=C[C@@]32F)CNCCC1

BIRTHDAY: 2018-11-19T08:12:51.441102
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis plan pending
FORMULA:C24H28N4O6

SMILES: COc1cc(C(=O)N[C@H](C)[C@@H](O)CO)ccc1Nc1nccc(-c2ccc(OC)c(OC)c2)n1

BIRTHDAY: 2018-11-19T08:12:51.451778
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C20H22N2O4

SMILES: Cc1c(NC(=O)c2cccc(NC(=O)CC(C)C)c2)cccc1C(=O)O

BIRTHDAY: 2018-11-19T08:12:51.460053
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C25H20F3N3O2

SMILES: CC(C)NC(=O)c1ccc(-c2ccc(-c3noc(-c4ccc(C(F)(F)F)cc4)n3)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:51.469976
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis plan pending
FORMULA:C30H47N5O2

SMILES: C[C@@H](CCCCCCCCCCCCCN(C)C)C(=O)Nc1ccc(-c2ccnc(C(N)=O)c2)cc1N

BIRTHDAY: 2018-11-19T08:12:51.479873
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis plan pending
FORMULA:C24H48N6OS2

SMILES: C[C@@H]1C[C@H]2CN[C@@H](CN(C)CCNCCN2)[C@H]2NC=N[C@H]2OCC(C)(C)SSCCC1(C)C

BIRTHDAY: 2018-11-19T08:12:51.490457
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis plan pending
FORMULA:C22H25N5O4

SMILES: CC(C)Nc1nc(-c2ccc(C(=O)NC(C)(C)C(=O)O)cc2)cc2ncn(C)c(=O)c12

BIRTHDAY: 2018-11-19T08:12:51.500492
ATC: H01A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis plan pending
FORMULA:C30H46N2O2

SMILES: CC(C)(C)C1=C[C@@]2(C#N)N[C@@H]3[C@@H]4C[C@@H]5C[C@H](C4)CC(C)(C)[C@@]3(C5)[C@]2(OC[C@@H](O)C(C)(C)C)C=C1

BIRTHDAY: 2018-11-19T08:12:51.510423
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis plan pending
FORMULA:C18H17FN2O2

SMILES: CC1(C)[C@H]2CN3C(=O)Cc4[nH]c5ccc(F)cc5c4C=C3[C@H]1O2

BIRTHDAY: 2018-11-19T08:12:51.518926
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C34H53N3O2

SMILES: C[C@H](C(=O)Nc1ccccc1NC(=O)Cc1ccccc1)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-11-19T08:12:51.529516
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C23H23N5O3

SMILES: COc1cc(C(=O)N(C)C)ccc1Nc1ncnc2c[nH]c(-c3ccccc3OC)c12

BIRTHDAY: 2018-11-19T08:12:51.549623
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C32H49N3O2

SMILES: CN(C)CCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2cccc(C(N)=O)c2)cc1

BIRTHDAY: 2018-11-19T08:12:51.558728
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C19H27N7O

SMILES: CC(C)[C@@H](CO)Nc1nc(NCc2ccncc2)c2c(ncn2C(C)C)n1

BIRTHDAY: 2018-11-19T08:12:51.568127
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis plan pending
FORMULA:C22H20FNO3

SMILES: CC1(C)COc2ccc(/C=C\C=C3\C(=O)Nc4ccc(F)cc43)cc2OC1

BIRTHDAY: 2018-11-19T08:12:51.576591
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C32H28N4O5

SMILES: O=C(Nc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)c1)c1ccccc1

BIRTHDAY: 2018-11-19T08:12:51.588708
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C16H30N4O6

SMILES: CC(C)C[C@H](C)[C@@H](N)C(=O)N[C@@H](C(=O)N[C@@H](CO)C(N)=O)[C@H](C)C(=O)O

BIRTHDAY: 2018-11-19T08:12:51.598264
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis plan pending
FORMULA:C30H22N4O6

SMILES: COc1ccccc1C(=O)Nc1cccc([C@@]23C=C(c4noc(-c5cccc(C(=O)O)c5)n4)C=C[C@@H]2OC=N3)c1

BIRTHDAY: 2018-11-19T08:12:51.610750
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis plan pending
FORMULA:C13H15NOSe

SMILES: C=C(c1ccoc1C#N)[C@@H]1C[Se]CC1(C)C

BIRTHDAY: 2018-11-19T08:12:51.617390
ATC: M09A
- MUSCULO-SKELETAL SYSTEM
- OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
- OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
Synthesis plan pending
FORMULA:C29H36N4O3

SMILES: COc1cccc(NC(=O)c2ccccc2C2(C)CCCCCC2)c1C(=O)Nc1cnn(C(C)C)c1

BIRTHDAY: 2018-11-19T08:12:51.627714
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis plan pending
FORMULA:C25H30N4O4

SMILES: COc1ccc(OC)c(-c2cncnc2Nc2c(OC)cccc2C(=O)NCC(C)(C)C)c1

BIRTHDAY: 2018-11-19T08:12:51.637864
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C9H12O7

SMILES: CC1(C)OO[C@@]2(OC(=O)C(=O)C(C)(C)O2)O1

BIRTHDAY: 2018-11-19T08:12:51.645449
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis plan pending
FORMULA:C19H37FN6

SMILES: C[C@H]1CNC(C)(C)C(C)(C)N[C@@H]2C=CC=C[C@]2(F)N[C@@H](N)CNCCN1

BIRTHDAY: 2018-11-19T08:12:51.654541
ATC: C03D
- CARDIOVASCULAR SYSTEM
- DIURETICS
- POTASSIUM-SPARING AGENTS
Synthesis plan pending
FORMULA:C28H34N8O

SMILES: CC1(C)CN(c2ccc(Nc3ncc4c5ccncc5n(C5CCOCC5)c4n3)nc2)[C@H]2CC[C@@H]1NC2

BIRTHDAY: 2018-11-19T08:12:51.666159
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis plan pending
FORMULA:C19H22O

SMILES: CC1(C)[C@@H]2C[C@@H]3[C@H]4C=CC=C[C@@]41C[C@]1(C=CC=C[C@@H]31)O2

BIRTHDAY: 2018-11-19T08:12:51.673156
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C28H22Cl2N4O3

SMILES: O=C1CNCCN[C@H](O)c2cc(cc3ncc4ccc(-c5ccoc5)cc4c23)N1c1cccc(Cl)c1Cl

BIRTHDAY: 2018-11-19T08:12:51.684809
ATC: A03C
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- ANTISPASMODICS IN COMBINATION WITH PSYCHOLEPTICS
Synthesis plan pending
FORMULA:C29H24F2N2O4

SMILES: C=C(c1cc(OC)ccc1OC)c1cn(Cc2cccc(F)c2)c(=O)cc1C(=O)Nc1cccc(F)c1

BIRTHDAY: 2018-11-19T08:12:51.696391
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis plan pending
FORMULA:C33H49N5O4S2

SMILES: COc1ccc(NC(=O)c2ccc([C@]3(C)N[C@@H]4CCCCCSSCCOCC[C@H](CNCCN(C)C3=O)NC4)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:51.710003
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis plan pending
FORMULA:C27H25F3N4O2

SMILES: CC1(C)N[C@H]2C[C@H]1N(C(=O)c1cccc(NC(=O)c3ccccc3C(F)(F)F)c1-c1ccccn1)C2

BIRTHDAY: 2018-11-19T08:12:51.721096
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis plan pending
FORMULA:C31H36N2O3

SMILES: COc1ccc(NC(=O)c2ccc([C@@]3(C)CC(=O)c4ccccc4CCCCCCCN3)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:51.731422
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis plan pending
FORMULA:C33H40N4O3S

SMILES: CC1(C)Nc2ccccc2S(=O)(=O)N1CCCCCCCCCCNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:51.742491
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis plan pending
FORMULA:C34H51N3O

SMILES: CN(C)CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:51.751373
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C23H29FN2O4

SMILES: C[C@@H](C(=O)O)[C@@]1(N)NCc2c(cccc2OCc2cccc(F)c2)COCC1(C)C

BIRTHDAY: 2018-11-19T08:12:51.761003
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C23H23F3N4O3

SMILES: COc1cccc(C(C)C)c1Nc1ccnc(C(=O)Nc2cccc([C@@H](O)C(F)(F)F)c2)n1

BIRTHDAY: 2018-11-19T08:12:51.771688
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C24H26N6O

SMILES: Cc1ccc(C(=O)N2C[C@H]3NC[C@H]2C3(C)C)cc1Nc1nccc(-c2ccccn2)n1

BIRTHDAY: 2018-11-19T08:12:51.782134
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C20H24ClN5O

SMILES: C[C@@H](N[C@@]12C=CC=C[C@@]1(Nc1ccccc1Cl)C=NC=N2)N1CCOCC1

BIRTHDAY: 2018-11-19T08:12:51.791406
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis plan pending
FORMULA:C23H24N4O6

SMILES: COc1cc(C(=O)N[C@H](C)C(=O)O)ccc1Nc1nccc(-c2ccc(OC)c(OC)c2)n1

BIRTHDAY: 2018-11-19T08:12:51.802030
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C20H14ClF2N7

SMILES: N#CCn1cnc2c(Nc3ccc(F)c(Cl)c3)nc(NCc3ccc(F)cc3)nc21

BIRTHDAY: 2018-11-19T08:12:51.812558
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C33H51N3O2

SMILES: CN(C)CCCCCCCCCCCCCCCCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:12:51.821732
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C29H40N2O3

SMILES: CC(C)C(C)(C)c1ccc([C@@]23C[C@@H]4C=CC=C(OCC(=O)N5CCCCC5)[C@]4(C2)NCO3)cc1

BIRTHDAY: 2018-11-19T08:12:51.831574
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis plan pending
FORMULA:C24H29ClN6O3

SMILES: CC(C)(OC1=CC2=C(CNCNC2=O)[C@@H]2C=NC=N[C@@]12Nc1ccccc1Cl)N1CCOCC1

BIRTHDAY: 2018-11-19T08:12:51.843159
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C28H31N3O3S

SMILES: CC(C)(C)c1cccc2c1C(C)(C)[S@+]([O-])c1ccc(C(=O)NCc3ccc(C(N)=O)cc3)cc1N2

BIRTHDAY: 2018-11-19T08:12:51.853716
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis plan pending
FORMULA:C17H22N2O5

SMILES: CC1(C)OCCC[C@@H]2C(=Nc3cc(OCC(=O)O)ccc3[C@@H]2N)O1

BIRTHDAY: 2018-11-19T08:12:51.862383
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C17H15F4NO2S

SMILES: CC1(C)c2cc(F)ccc2N(Cc2ccc(C(F)(F)F)cc2)S1(=O)=O

BIRTHDAY: 2018-11-19T08:12:51.871195
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C24H29F3N4O4

SMILES: CN[C@@H]1OC[C@@H](NC(C)=O)[C@H](Cc2ccc(F)cc2F)NC[C@H]1C(=O)Nc1ccc(OC)c(F)c1

BIRTHDAY: 2018-11-19T08:12:51.882516
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis plan pending
FORMULA:C42H57N2O6P

SMILES: CN(CCCCCCCCCCCCCCCCCNC(=O)c1ccc(-c2ccc(C3=CCCOPO3)cc2)cc1)C(=O)c1ccc(O)c(O)c1

BIRTHDAY: 2018-11-19T08:12:51.895491
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis plan pending
FORMULA:C15H20Cl2NO3P

SMILES: CC1(C)COPC[C@H]1C(=O)N[C@@H](CO)c1ccc(Cl)c(Cl)c1

BIRTHDAY: 2018-11-19T08:12:51.903993
ATC: A05B
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- LIVER THERAPY, LIPOTROPICS
Synthesis plan pending
FORMULA:C29H32N4O4

SMILES: CC(C)NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)Nc2cccc(C(N)=O)c2)c1

BIRTHDAY: 2018-11-19T08:12:51.914884
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C16H24N8OS

SMILES: CC1(C)[C@@H]2CN[C@]13NCN[C@]1(c4ccnn4CC(N)=O)NN=C[C@@H]1[C@H]3S2

BIRTHDAY: 2018-11-19T08:12:51.925180
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis plan pending
FORMULA:C21H17N7O

SMILES: COc1cccc(C#N)c1Nc1nc(Nc2ccccc2C#N)nc2c1NCC2

BIRTHDAY: 2018-11-19T08:12:51.935222
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C14H20N2S

SMILES: C[C@@H]1Cc2ccccc2[C@@H]2SCNC(C)(C)N21

BIRTHDAY: 2018-11-19T08:12:51.941993
ATC: C03D
- CARDIOVASCULAR SYSTEM
- DIURETICS
- POTASSIUM-SPARING AGENTS
Synthesis plan pending
FORMULA:C23H23N7O

SMILES: COc1ccc(CNc2nc(Nc3cccc(C#N)c3)nc3c2ncn3C(C)C)cc1

BIRTHDAY: 2018-11-19T08:12:51.952194
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis plan pending
FORMULA:C28H33N3O3

SMILES: CN(C)CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(C)(C)C)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:51.962116
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C23H29N3O4

SMILES: CN(C)C(C)(C)Oc1cccc([C@H]2OC2(C)C)c1C(=O)Nc1ccc(C(N)=O)cc1

BIRTHDAY: 2018-11-19T08:12:51.971792
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis plan pending
FORMULA:C25H23N5O4

SMILES: COc1ccc(C(=O)Nc2ccc(-c3noc(-c4ccc(N5CCOCC5)nc4)n3)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:51.982315
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis plan pending
FORMULA:C28H26N8O

SMILES: CC(C)NC(=O)c1cccc2c1[C@]1(Nc3ccccc3C#N)N=C(NCc3ccncc3)N=CC1=NC2

BIRTHDAY: 2018-11-19T08:12:51.994503
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C28H40FN3O

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)[C@]12C=CC=CC1=CCNCCN2C(=O)c1cccc(F)c1

BIRTHDAY: 2018-11-19T08:12:52.004536
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis plan pending
FORMULA:C23H31N5O2

SMILES: CC(C)(C)NC(=O)c1cccc(N[C@@H]2NC(=O)N(c3ccc(C(C)(C)C)cc3)N2)c1

BIRTHDAY: 2018-11-30T17:24:04.083531
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C21H26NO4Sb

SMILES: COc1cccc(C(C)(C)C)c1NC(=O)c1ccccc1[C@](C)([SbH2])C(=O)O

BIRTHDAY: 2018-11-30T17:24:04.092826
ATC: A11D
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Synthesis Plan
FORMULA:C23H23F3N4O3

SMILES: COc1cccc(C(C)C)c1Nc1ccnc(C(=O)Nc2cccc([C@H](O)C(F)(F)F)c2)n1

BIRTHDAY: 2018-11-30T17:24:04.103434
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H26N4O2

SMILES: Cc1cc2ncnc(N[C@H](CC(C)C)[C@H](O)c3ccccc3)c2cc1C(N)=O

BIRTHDAY: 2018-11-30T17:24:04.112657
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H31N5O4

SMILES: CC(C)C[C@H](C)[C@H](N)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)Nc1ccccc1C(=N)N

BIRTHDAY: 2018-11-30T17:24:04.122398
ATC: R02A
- RESPIRATORY SYSTEM
- THROAT PREPARATIONS
- THROAT PREPARATIONS
Synthesis Plan
FORMULA:C24H31NO4S

SMILES: CC(C)[S@@+]([O-])c1ccc(C(C)(C)C(=O)O)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1

BIRTHDAY: 2018-11-30T17:24:04.131228
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C25H27N5O7

SMILES: CC(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc([C@H](O)c2nn(C)c(=O)n(CC(=O)O)c2=O)cc1

BIRTHDAY: 2018-11-30T17:24:04.142930
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C17H23N5O2

SMILES: CC1(C)Nc2cc3c(cc2NCCNCCn2ccnc21)OCO3

BIRTHDAY: 2018-11-30T17:24:04.151695
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C32H33FN6O

SMILES: CN(C)CCc1cc2nc(n1)Nc1cccc(c1)CCOc1cccc(c1)C1=NCc3cc(F)ccc3[C@@H]1CN2

BIRTHDAY: 2018-11-30T17:24:04.163467
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C29H46N4O

SMILES: CN(C)CCCCCCCCCCCCCCCC(=O)Nc1cc(-c2ccccn2)ccc1N

BIRTHDAY: 2018-11-30T17:24:04.172157
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C31H45N3O5

SMILES: CC1(C)CCCN(C(C)(C)c2ccccc2)C[C@@H](C(=O)N[C@@H](CC(=O)O)[C@@H](O)c2ccccc2)OCCCN1

BIRTHDAY: 2018-11-30T17:24:04.183968
ATC: S01B
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C31H30N6O

SMILES: COc1ccc(N[C@@H]2NCC=CCCn3ccc4ccc(cc43)-c3ccnc(n3)Nc3cccc2c3)cc1

BIRTHDAY: 2018-11-30T17:24:04.194953
ATC: A11C
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
Synthesis Plan
FORMULA:C20H24ClNO2

SMILES: C=C(c1cc(O)cc(O)c1)[C@@]12C=CC=C[C@]1(Cl)CCNCC2(C)C

BIRTHDAY: 2018-11-30T17:24:04.203154
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C9H17NO2

SMILES: CC1(C)C[C@]2(N)CO[C@](C)(C2)O1

BIRTHDAY: 2018-12-02T16:07:12.069147
ATC: S01X
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OTHER OPHTHALMOLOGICALS
Synthesis Plan
FORMULA:C30H48N4O

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1cccc(N)c1-c1ccncc1

BIRTHDAY: 2018-12-02T16:07:12.078468
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C24H28N4O5

SMILES: COc1cc(Nc2nccc(-c3ccc(OC)c(OC)c3)n2)cc(C(=O)NCC(C)(C)O)c1

BIRTHDAY: 2018-12-02T16:07:12.099463
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C32H53N5O

SMILES: CNc1ncccc1-c1c(N)cccc1NC(=O)[C@H](C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-12-02T16:07:12.109594
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C25H30N4O4

SMILES: COc1ccc(C(=O)NCC(C)(C)C)cc1Nc1nccc(-c2ccc(OC)c(OC)c2)n1

BIRTHDAY: 2018-12-02T16:07:12.119652
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C45H65N5O6

SMILES: COc1ccc(C(=O)NC[C@H](O)[C@@H](O)C2=CCCCC[C@@H]3CCC[C@H](CCNCCOCCCCCC2)O3)cc1Nc1ccnc(-c2ccc(C(C)C)cc2)n1

BIRTHDAY: 2018-12-02T16:07:12.134809
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C35H55N3O2

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)Nc1ccccc1NC(=O)Cc1ccccc1

BIRTHDAY: 2018-12-02T16:07:12.144568
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C20H30N2O6S

SMILES: CN(C)CCOc1cc(/C=C2/OC(=O)NS(=O)(=O)C2(C)C)cc(C(C)(C)C)c1O

BIRTHDAY: 2018-12-02T16:07:12.154226
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C22H35NO4S

SMILES: CC1(C)C[C@@H]2C[C@@]3(C4=CN[S@@]5(CCCCCOCCCC(=O)C5)O4)OC[C@H]2[C@H]13

BIRTHDAY: 2018-12-02T16:07:12.163224
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C28H30F2N2O2

SMILES: CC(C)c1ccc(-c2cccc(CNC(=O)c3ccc(F)cc3F)c2)c(C(=O)NC(C)(C)C)c1

BIRTHDAY: 2018-12-02T16:07:12.172458
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C33H55ClN6S

SMILES: C[C@@H](CCCCCCCCCCCCCCCN(C)C)Nc1nc(NCc2ccc3c(c2)CNCCS3)ncc1Cl

BIRTHDAY: 2018-12-02T16:07:12.183512
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C24H27Cl2N5O3

SMILES: C=CC(=O)NC1=CC=C(OC(C)(C)N2CCOCC2)[C@@H]2C1=NC=N[C@@H]2Nc1ccc(Cl)cc1Cl

BIRTHDAY: 2018-12-02T16:07:12.194547
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H33N2O6Sb

SMILES: CC(C)[C@H]1CCCCCCOc2ccc(cc2)C[C@H](C#N)N([C@@]23O[Sb](OC2=O)OC3(C)C)C1=O

BIRTHDAY: 2018-12-03T10:43:34.125174
ATC: P03A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES
Synthesis Plan
FORMULA:C29H40N4O3

SMILES: CC1(C)CC2CC1(C(=O)N1C[C@@H]3C4=CC=C[C@@]3(C1)[C@@H](N)NCCc1ccc(nc1)OCCCCO4)C2

BIRTHDAY: 2018-12-03T10:43:34.135981
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C24H38FN3O2S

SMILES: CC1(C)CCCCCCCCC(=O)[C@](C)(N2SC(=O)[C@H]3C=CC=C[C@@]32F)CNCCN1

BIRTHDAY: 2018-12-03T10:43:34.146107
ATC: C03A
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, THIAZIDES
Synthesis Plan
FORMULA:C27H31N7O2

SMILES: CC(C)NC(=O)c1cccc2c1CN=C1C(N[C@@H](C)C(C)(C)O)=NC=N[C@]12Nc1ccccc1C#N

BIRTHDAY: 2018-12-03T10:43:34.157343
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C26H24FN3O3

SMILES: CN(C)[C@@H]1CC(=O)Nc2cc(/C=C\c3ccccc3C(=O)Nc3cccc(F)c3)ccc2O1

BIRTHDAY: 2018-12-03T10:43:34.167372
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C20H22N4O2S5

SMILES: CC(C)NC(=O)c1ccc(NC(=O)c2ccccc2C(=N)N)cc1[C@H]1CSSSSS1

BIRTHDAY: 2018-12-03T10:43:34.178135
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C33H37N3O2

SMILES: COc1ccccc1NC(=O)c1ccccc1[C@@]1(C)[C@H]2CC[C@H]3[C@H](CCN32)[C@@]12CCN(c1ccccc1)C2

BIRTHDAY: 2018-12-03T10:43:34.191020
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C24H19FN2O5

SMILES: C=C(C(=O)Nc1ccc(C(=O)Nc2c(F)cccc2C(=O)O)cc1)c1ccccc1OC

BIRTHDAY: 2018-12-03T10:43:34.201059
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C24H33FN6O2

SMILES: O=C(NCCCN1CCOCC1)c1cnc(NCc2ccc(F)cc2)nc1NC1CCCC1

BIRTHDAY: 2018-12-03T10:43:34.211335
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C44H45N5O5

SMILES: COc1c(/C=C/C(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)ccc2cc3cc(c12)Oc1cccc(c1)CN1CCN(CCNC3=O)CC1

BIRTHDAY: 2018-12-03T10:43:34.226864
ATC: C03D
- CARDIOVASCULAR SYSTEM
- DIURETICS
- POTASSIUM-SPARING AGENTS
Synthesis Plan
FORMULA:C24H28N4O4

SMILES: COc1ccc(OC)c(-c2ncc(Nc3cccc(OC)c3C(=O)NC(C)(C)C)cn2)c1

BIRTHDAY: 2018-12-03T10:43:34.236635
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H21N3O2

SMILES: CC1(C)NC(=O)NN1Cc1ccc([C@@H](O)c2ccccc2)cc1

BIRTHDAY: 2018-12-03T10:43:34.244340
ATC: R03C
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C13H21BN2O3

SMILES: CN1C(=O)[C@@H]2CC[C@@]3(C)OBC(C)(C)C[C@@]3(N2)C1=O

BIRTHDAY: 2018-12-03T10:43:34.252220
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C24H31FN4O

SMILES: CN(C)CCCCC/C=N/c1ccc(C(N)=O)c2c1CCN2Cc1ccc(F)cc1

BIRTHDAY: 2018-12-03T10:43:34.261067
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C27H28N2O4

SMILES: COc1ccc(/C=C\C(=O)Nc2ccccc2C(=O)Nc2ccc(C(C)C)cc2)cc1OC

BIRTHDAY: 2018-12-03T19:11:58.824079
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H24N6O2

SMILES: CC(C)C[C@H](C)C(=O)Nc1ccccc1[C@]12OC=N[C@H]1N=C(N)N=C2N

BIRTHDAY: 2018-12-03T19:11:58.834026
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C26H29N3O4

SMILES: COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc([C@H](O)CCN(C)C)cc3)cc2)cc1

BIRTHDAY: 2018-12-03T19:11:58.843625
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C22H20O4

SMILES: CC1(C)[C@H]2OC[C@@]3(C=C(O)C=C[C@]13c1ccccc1-c1ccoc1)C2=O

BIRTHDAY: 2018-12-03T19:11:58.853009
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H20N4O2

SMILES: CC1(C)CN=NN(Cc2cc(-c3cccnc3)cc(-c3ccco3)c2)C1=O

BIRTHDAY: 2018-12-03T19:11:58.861805
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C29H31FN6O

SMILES: CC1(C)[C@H]2CC[C@@H](CN1c1nc(Nc3ccccc3-c3ccoc3)c3c(n1)[C@H]1C=CC=C[C@@]1(F)N3)NC2

BIRTHDAY: 2018-12-03T19:11:58.874136
ATC: A10A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- INSULINS AND ANALOGUES
Synthesis Plan
FORMULA:C28H35N3O

SMILES: CC(C)N(CCCCCCC(=O)Nc1ccc(-c2cccnc2)cc1)Cc1ccccc1

BIRTHDAY: 2018-12-03T19:11:58.892025
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H39N7O4

SMILES: CC1(C)COCCN(c2nccc(Nc3ccc(O[C@@]4(C)CN[CH+][N-]4)cc3)n2)CCOCCNCCO1

BIRTHDAY: 2018-12-03T19:11:58.903925
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C29H32N4O4

SMILES: CC(C)NC(=O)c1c(NC(=O)c2ccccc2C(C)(C)C)cccc1C(=O)Nc1ccccc1C(N)=O

BIRTHDAY: 2018-12-03T19:11:58.914588
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C19H16F2N4O2

SMILES: CC1(C)C(=O)OCN1c1cccc2cnc(Nc3cc(F)ccc3F)nc12

BIRTHDAY: 2018-12-03T19:11:58.924341
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C12H15NO2

SMILES: CC1(C)C[C@@H]2C[C@@]3(N2)C(=O)C=CC(=O)[C@@H]13

BIRTHDAY: 2018-12-03T19:11:58.930906
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C20H27FN2

SMILES: CN(C)C(C)(C)C(C)(C)C1=CC=CNC=C1c1ccccc1F

BIRTHDAY: 2018-12-03T19:11:58.938243
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C17H17NO3Se

SMILES: CC(C)([SeH])c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1

BIRTHDAY: 2018-12-03T19:11:58.945668
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C24H27N5O2

SMILES: COc1ccc(Nc2ncnc3c[nH]c(-c4ccc(OCCCN(C)C)cc4)c23)cc1

BIRTHDAY: 2018-12-03T19:11:58.955455
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C16H30N4O6

SMILES: CC(C)C[C@H](C)[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CO)C(N)=O

BIRTHDAY: 2018-12-03T19:11:58.964997
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C32H53N5O

SMILES: CNc1cccc(-c2ccc(N)c(NC(=O)CCCCCCCCCCCCCCCCCN(C)C)c2)n1

BIRTHDAY: 2018-12-03T19:11:58.984513
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C27H28N2O4

SMILES: C=C(C(=O)Nc1ccc(C(=O)Nc2ccccc2C(C)C)cc1)c1cccc(OC)c1OC

BIRTHDAY: 2018-12-03T19:11:58.994188
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C27H25NO7

SMILES: CC1(C)NC[C@@H](c2ccc(/C=C/C(=O)O)cc2)c2cc(C(=O)c3ccc(O)c(O)c3)c(O)cc2O1

BIRTHDAY: 2018-12-01T22:31:04.932126
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C23H23N7O

SMILES: COc1ccccc1CNc1nc(Nc2ccccc2C#N)nc2ncn(C(C)C)c12

BIRTHDAY: 2018-12-01T22:31:04.942359
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C32H49N3O3

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1ccccc1NC(=O)c1cccc(O)c1

BIRTHDAY: 2018-12-01T22:31:04.962199
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C23H25NO4

SMILES: CC1(C)O[C@@H]2C[C@@H]1CC[C@@H]2c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1

BIRTHDAY: 2018-12-01T22:31:04.970766
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C31H34N2O4S

SMILES: CC(C)(C)c1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(O[C@@]3(C)[C@@H]4CCO[C@H]3SC4)c2)cc1

BIRTHDAY: 2018-12-01T22:31:05.002653
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H30N4O2

SMILES: COc1cc(Nc2nccc(-c3ccc(C(C)C)cc3)n2)cc(C(=O)NC(C)(C)C)c1

BIRTHDAY: 2018-12-01T22:31:05.011710
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C42H38N4O6S

SMILES: CC1(C)[C@@H]2[C@@H]3[C@@H]4O[C@@H]5[C@@H]3[C@@H]1[C@]13C(=O)C=C[C@]6(C(O)=CSC(=O)[C@@H]6c6ccc7cc6COCC=CCCOc6cc(ccn6)-c6ccnc(n6)N7)[C@@]51[C@H]4[C@@H]23

BIRTHDAY: 2018-12-01T22:31:05.028464
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C28H33N3O3

SMILES: C[C@H](Oc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)(C)C)cc2)c1)N(C)C

BIRTHDAY: 2018-12-01T22:31:05.038429
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C35H59N7

SMILES: CC(C)[C@@H](Nc1nc(NCc2ccccc2)c2c(ncn2C(C)C)n1)[C@@H](C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-12-01T22:31:05.049769
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C17H23NO2

SMILES: CC1(C)C[C@@H]2CN3CCC[C@@H]4C(=O)C=CC(=O)[C@]4(C2)[C@H]31

BIRTHDAY: 2018-12-01T22:31:05.057307
ATC: L02A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONES AND RELATED AGENTS
Synthesis Plan