matter.farm

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

These compounds may interact with:

cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A

Potentially involved in: acquired metabolic disease; conduct disorder; kidney cancer; carcinoma; bipolar disorder; schizophrenia; huntington's disease; choreatic disease; parkinson's disease; multiple system atrophy; alcoholic intoxication, chronic; psychotic disorders; nonorganic psychosis; adult high grade glioma; astrocytic glioma; astrocytoma, pilocytic; atypical teratoid / rhabdoid tumor; breast cancer; cutaneous lupus erythematosus; ependymoma

Disease data sourced from Pharos.

Antagonist

FORMULA:C12H10F4N6

SMILES: Fc1ccc(-c2ncc(C(F)(F)F)nc2C2NNNN2)cc1

BIRTHDAY: 2018-12-01T14:10:17.756074
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C18H25F3N6O5

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CO)C(=O)Nc1nccc(C(F)(F)F)n1

BIRTHDAY: 2018-12-01T14:10:17.767917
ATC: A05B
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- LIVER THERAPY, LIPOTROPICS
Synthesis Plan
FORMULA:C19H30N6O5

SMILES: Cc1ncc(NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)C)cn1

BIRTHDAY: 2018-12-01T14:10:17.778651
ATC: H01A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C32H49N5O5S

SMILES: CC(C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](CCc1ccc(C(C)(C)C)cn1)C1=CC[C@@H]2CC[C@@H]1S2

BIRTHDAY: 2018-12-01T14:10:17.791405
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C21H21N7O3

SMILES: CC(C)(O)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1

BIRTHDAY: 2018-12-01T14:10:17.801975
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H21N7O2

SMILES: COc1ccc(-c2ccc(NC(=O)c3cnc(C4CC4)c(Nc4ncccn4)n3)nc2)cc1

BIRTHDAY: 2018-12-01T14:10:17.812429
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C27H25N3O

SMILES: COc1ccccc1-c1c(-c2ccccc2C(C)(C)C)cnc2c1ncn1cccc21

BIRTHDAY: 2018-12-01T14:10:17.821786
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H19N3O2

SMILES: COc1cccc(-c2ccnc([C@]3(C)N=C4C=CC=C[C@H]4NC3=O)c2)c1

BIRTHDAY: 2018-12-01T14:10:17.830319
ATC: V09G
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- CARDIOVASCULAR SYSTEM
Synthesis Plan
FORMULA:C25H35N7O4

SMILES: CNC(=O)c1ccncc1Oc1cccc2c1COCCN[C@@]1(N)NC=N[C@@]1(N(C)C)OCCCC2

BIRTHDAY: 2018-12-01T14:10:17.842440
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:C22H27N7

SMILES: Cc1cn2nc(CCc3cn(C)c(-c4cccc(C(C)(C)C)n4)n3)nc2c(C)n1

BIRTHDAY: 2018-12-01T14:10:17.851521
ATC: S01L
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OCULAR VASCULAR DISORDER AGENTS
Synthesis Plan
FORMULA:C18H24F3N3O3

SMILES: CNC(=O)[C@H](NC(=O)c1c(OCC(F)(F)F)cncc1C1CC1)C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:17.861326
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H24N4O3

SMILES: CNC(=O)c1ccc(NC(=O)Cn2c(C(C)(C)C)cnc(C)c2=O)cc1

BIRTHDAY: 2018-12-01T14:10:17.870027
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C24H23F3N6O2

SMILES: CC1(Oc2ccccc2NC2=NN[C@@]3(c4ccccc4NC(=O)CC(F)(F)F)N=CC=CN23)CC1

BIRTHDAY: 2018-12-01T14:10:17.881507
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C21H22N2O

SMILES: COc1cccc([C@@H]2N=C3C=CC=C[C@H]3N[C@]23[C@H]2C=CC[C@@H]3C2)c1

BIRTHDAY: 2018-12-01T14:10:17.889374
ATC: N07A
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- PARASYMPATHOMIMETICS
Synthesis Plan
FORMULA:C20H21N7O2

SMILES: CC(C)Oc1ccnc(NC(=O)c2nc(Nc3ncccn3)cnc2C2CC2)c1

BIRTHDAY: 2018-12-01T14:10:17.899487
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C22H29N3O3

SMILES: Cc1cc(NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c2ccccc2c1

BIRTHDAY: 2018-12-01T14:10:17.908423
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C22H26N8O3

SMILES: Cc1nc(N)nc(-c2cncc(Nc3cc(OC(C)C)ccn3)c2C(=O)N2CCOCC2)n1

BIRTHDAY: 2018-12-01T14:10:17.919629
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H23N5O

SMILES: CC(C)(O)c1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1

BIRTHDAY: 2018-12-25T02:02:19.958037
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C23H22N4O

SMILES: COc1ccccc1-c1cnc([C@@H]2CCN2c2ccnc3c2C=CCC3)cn1

BIRTHDAY: 2018-12-25T02:02:19.966892
ATC: A10X
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- OTHER DRUGS USED IN DIABETES
Synthesis Plan
FORMULA:C21H29N3O4

SMILES: C[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)O)C(=O)N[C@]1(C)C=CC=C2C=CC=C[C@@H]21

BIRTHDAY: 2018-12-25T02:02:19.976074
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C22H32ClN5O4

SMILES: CNC(=O)[C@@H](NC(=O)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)C(C)C)C1)[C@@H](C)c1cc(Cl)ccn1

BIRTHDAY: 2018-12-25T02:02:19.986774
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:C21H29N3O4

SMILES: C[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)O)C(=O)N[C@@]1(C)C=CC=C2C=CC=C[C@H]21

BIRTHDAY: 2018-12-25T02:02:19.996069
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C21H27N3O4

SMILES: Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)O)c2ccccc12

BIRTHDAY: 2018-12-25T02:02:20.005388
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C18H27N7O6

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)Nc1cnc(C(N)=O)nc1

BIRTHDAY: 2018-12-25T02:02:20.016888
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C18H24F3N3O3

SMILES: CNC(=O)[C@@H](NC(=O)c1c(OCC(F)(F)F)cncc1C1CC1)C(C)(C)C

BIRTHDAY: 2018-12-25T02:02:20.026846
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H21N3O2

SMILES: COc1ccccc1-c1nc2ccccc2n([C@@H](N)Cc2ccccc2)c1=O

BIRTHDAY: 2018-12-25T02:02:20.035694
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C23H34N4O2

SMILES: CC(C)C(=O)N[C@H](C)C(=O)N1CCCCCC=CC[C@]12c1ccccc1N[C@@H]2N

BIRTHDAY: 2018-12-25T02:02:20.064196
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C20H38N6O4

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

BIRTHDAY: 2018-12-25T02:02:20.082827
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H29N3O4

SMILES: CC1=CC(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)O)=C[C@H]2C=CC=C[C@@H]12

BIRTHDAY: 2018-12-03T02:38:24.211149
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C28H37FN4O

SMILES: CC(C)[C@H](N[C@H]1CCc2cnn(Cc3ccc(F)cc3)c2CCCNC[C@@H]1O)c1ccccc1

BIRTHDAY: 2018-12-03T02:38:24.220780
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H36FN5O3

SMILES: CC(C)[C@H](NC(=O)c1cc(C(=O)N2CCOCC2)n(C)n1)[C@@]1(F)CC[C@H]2CC[C@@H](CN2)C1

BIRTHDAY: 2018-12-03T02:38:24.239849
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H20F3N5O

SMILES: COc1ccc([C@@]23N=CCN4C(c5ccnc(C)c5)=CN[C@]42N=CC=C3C(F)(F)F)cc1

BIRTHDAY: 2018-12-03T02:38:24.250435
ATC: A11H
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- OTHER PLAIN VITAMIN PREPARATIONS
Synthesis Plan
FORMULA:C23H27NO6

SMILES: COc1ccc(OC)c(OC)c1CC1=C(C(C)=O)C2=CC=CC(OC)(OC)[C@H]2N=C1

BIRTHDAY: 2018-12-03T02:38:24.259768
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C29H27FN2O5

SMILES: COC1=CC(O)(O)[C@]2(c3cccc(F)c3)N=CC=C(Cc3ccnc4c3[C@H](OCC(C)=O)CC=C4)C2=C1

BIRTHDAY: 2018-12-03T02:38:24.270772
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C18H30N6O2

SMILES: CC(C)(C)C(=O)Nc1n[nH]c2c1N(C(=O)[C@@]1(N)CCCCN1)CC2(C)C

BIRTHDAY: 2018-12-03T02:38:24.280068
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C23H16F3N5O

SMILES: COc1ccccc1-c1nc2ccc(C(F)(F)F)nc2n2c(-c3cnccc3C)cnc12

BIRTHDAY: 2018-12-03T02:38:24.290485
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C15H22FN5O2

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N1CCN(c2ncccc2F)NC1

BIRTHDAY: 2018-12-03T02:38:24.299256
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C21H27N3O3

SMILES: Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(C)C)c2ccccc12

BIRTHDAY: 2018-12-03T02:38:24.307766
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis Plan
FORMULA:C17H19F3N2O

SMILES: Cc1ncc(C(C)(C)C)n(Cc2cccc(C(F)(F)F)c2)c1=O

BIRTHDAY: 2018-12-03T02:38:24.315515
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C28H36N2O5

SMILES: COC1=CC2=CN=C(C(C)C)C[C@]2(Cc2cnc3c(c2)C=CC[C@H]3O[C@@H](C)[C@@H](O)CO)C(OC)=C1

BIRTHDAY: 2018-12-03T02:38:24.327805
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C15H25N5O5

SMILES: CC(C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@]1(CC(=O)O)CC=NN1

BIRTHDAY: 2018-12-03T02:38:24.337382
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C22H32ClN5O4

SMILES: CNC(=O)[C@H](CCc1ccc(Cl)nc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)C(C)C

BIRTHDAY: 2018-12-03T02:38:24.347314
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C28H34N2O5

SMILES: COC1=CC=C(OC)[C@@H]2C=C(C(C)C)N=C(Cc3ccnc4cccc(O[C@@H](C)[C@H](O)CO)c34)[C@@H]12

BIRTHDAY: 2018-12-03T02:38:24.357601
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C11H16N2OS

SMILES: CC(C)(C)C(=O)N1CS[C@@H]2C=CC=CN21

BIRTHDAY: 2018-11-30T03:40:20.510026
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H22N4O

SMILES: COc1ccccc1-c1cnc([C@H]2CCN2c2ccnc3c2C=CCC3)cn1

BIRTHDAY: 2018-11-30T03:40:20.518895
ATC: A10X
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- OTHER DRUGS USED IN DIABETES
Synthesis Plan
FORMULA:C24H28N2O5

SMILES: COC1=CC(O)(O)[C@]2(Cc3ccnc4c3CC(O)(O)C=C4)C=NC=C(CC(C)C)C2=C1

BIRTHDAY: 2018-11-30T03:40:20.528759
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C18H27N7O6

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CO)C(=O)Nc1nccc(C(N)=O)n1

BIRTHDAY: 2018-11-30T03:40:20.540226
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C21H29N3O4

SMILES: C[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)O)C(=O)N[C@]1(C)C=CC=C2C=CC=C[C@H]21

BIRTHDAY: 2018-11-30T03:40:20.558040
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C26H28N4O3

SMILES: C[C@H](Oc1ccccc1[C@@]12C=CN=C[C@@]1([C@H](O)c1ccccc1)NC(=O)C=N2)N1CCCC1

BIRTHDAY: 2018-11-30T03:40:20.568247
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C23H20N4O

SMILES: COc1cccc(-c2nccnc2C2CN(c3cnc4ccccc4c3)C2)c1

BIRTHDAY: 2018-11-30T03:40:20.577150
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C21H27N3O3

SMILES: Cc1cc(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)C)c2ccccc2c1

BIRTHDAY: 2018-11-30T03:40:20.597113
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C19H24N4O5

SMILES: Cc1nocc1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@](C)(O)c1ccccc1

BIRTHDAY: 2018-11-30T03:40:20.607171
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C22H20F3N5O2

SMILES: COc1ccccc1-c1nc2ccc(C(F)(F)F)nc2n2c(C(=O)NC(C)(C)C)cnc12

BIRTHDAY: 2018-11-30T03:40:20.617837
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C23H30N6O5

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)Nc1cnc(-c2ccccc2)nc1

BIRTHDAY: 2018-11-30T03:40:20.628987
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C23H34ClN5O4

SMILES: CNC(=O)[C@@H](NC(=O)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C1)[C@H](C)c1ccncc1Cl

BIRTHDAY: 2018-11-30T03:40:20.639591
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C22H28ClF3N4O4

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N1CC[C@@H](C(=O)N[C@@H](C(=O)C(F)(F)F)[C@H](C)c2ccncc2Cl)C1

BIRTHDAY: 2018-11-19T08:16:02.846650
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C26H29F3N8O2

SMILES: C[C@H](Nc1cnc(C(=O)Nc2ccccc2-c2c(N3CCOCC3)ncnc2C(F)(F)F)cn1)N1CCCC1

BIRTHDAY: 2018-11-19T08:16:02.861430
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C22H32ClN5O4

SMILES: CNC(=O)[C@@H](CCc1ccc(Cl)nc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)C(C)C

BIRTHDAY: 2018-11-19T08:16:02.871828
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H22N4O3S

SMILES: CC(C)C(=O)N[C@H](C)C(=O)Nc1nc(=O)c2c(s1)CN[C@H]1C=CC=C[C@H]21

BIRTHDAY: 2018-11-19T08:16:02.880980
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C22H29F3N4O5

SMILES: CC(C)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)[C@@H](C)c1cccnc1O

BIRTHDAY: 2018-11-19T08:16:02.892722
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C22H29F3N4O4

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N1CC[C@@H](C(=O)N[C@H](C(=O)C(F)(F)F)[C@H](C)c2ccncc2)C1

BIRTHDAY: 2018-11-19T08:16:02.904154
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C19H10F6N4O2

SMILES: COc1ccccc1-c1nc2ccc(C(F)(F)F)nc2n2cc(C(=O)C(F)(F)F)nc12

BIRTHDAY: 2018-11-19T08:16:02.915426
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C13H22N4O4

SMILES: C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@]1(CC(=O)O)CC=NN1

BIRTHDAY: 2018-11-19T08:16:02.924088
ATC: B02A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIHEMORRHAGICS
- ANTIFIBRINOLYTICS
Synthesis Plan
FORMULA:C26H26N4O

SMILES: CC1(Oc2ccccc2-c2cnc([C@H]3CCN3c3ccnc4c3C=CCC4)cn2)CC1

BIRTHDAY: 2018-11-19T08:16:02.933595
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H32ClN5O4

SMILES: CNC(=O)[C@@H](NC(=O)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)C(C)C)C1)[C@H](C)c1cc(Cl)ccn1

BIRTHDAY: 2018-11-19T08:16:02.944260
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:C20H21N7O2

SMILES: CC(C)Oc1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1

BIRTHDAY: 2018-11-19T08:16:02.954450
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H19F3N6O2

SMILES: O=C(Nc1ccccc1[C@]12N=CC=CN1C(NC(=O)C1CC1)=NN2)c1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:16:02.966419
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C22H20N2O4

SMILES: COc1ccc(-c2cccnc2-c2ccc(C(=O)NCCC(=O)O)cc2)cc1

BIRTHDAY: 2018-11-19T08:16:02.975323
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C27H44N6O6

SMILES: CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(C)C)[C@H](C)c1ccncc1C(C)(C)C

BIRTHDAY: 2018-11-19T08:16:02.987912
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C21H26N4O4

SMILES: Cc1ncc(=O)n(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c1C(C)C

BIRTHDAY: 2018-11-19T08:16:02.997710
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C16H27N5O5

SMILES: C[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N[C@@]1(CC(=O)O)CC=NN1

BIRTHDAY: 2018-11-19T08:16:03.018532
ATC: R01A
- RESPIRATORY SYSTEM
- NASAL PREPARATIONS
- DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C14H20N2O3S

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N[C@H](C)c1cc(=O)ccs1

BIRTHDAY: 2018-11-19T08:16:03.026606
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C22H19F3N6O

SMILES: O=C(Nc1ccccc1[C@]12N=CC=CN1C(NC1CC1)=NN2)c1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:16:03.038292
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C26H26N4O3S

SMILES: CC(C)C(=O)Nc1ccccc1[C@@]12C=CC(c3cc(O[C@H]4CCS4)ccn3)=CN1CC(=O)N=C2

BIRTHDAY: 2018-11-19T08:16:03.049189
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C20H16N6O

SMILES: O=C(Nc1ccc(-c2cnc3c(-c4cccnc4)nnn3c2)cc1)C1CC1

BIRTHDAY: 2018-11-19T08:16:03.058275
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C27H25N3O

SMILES: COc1ccc(-c2nc3ncn4cccc4c3cc2-c2ccc(C(C)(C)C)cc2)cc1

BIRTHDAY: 2018-11-19T08:16:03.067832
ATC: S01L
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OCULAR VASCULAR DISORDER AGENTS
Synthesis Plan
FORMULA:C22H29F3N4O5

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N1CC[C@@H](C(=O)N[C@@H](C(=O)C(F)(F)F)[C@H](C)c2ccncc2O)C1

BIRTHDAY: 2018-11-19T08:16:03.080514
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C22H29F3N4O5

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCc1ccc(O)nc1)C(=O)C(F)(F)F

BIRTHDAY: 2018-11-19T08:16:03.092019
ATC: C02D
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
Synthesis Plan
FORMULA:C26H23N7O

SMILES: O=C(Nc1ccccc1C1=CN2NC([C@H]3C=CN=CN=CC=CC3)=N[C@@H]2N=C1)c1ccccc1

BIRTHDAY: 2018-11-19T08:16:03.102751
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C17H8F8N6O

SMILES: O=C(Nc1c(F)cccc1F)c1nc(C(F)(F)F)cnc1Nc1ncncc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:16:03.115363
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H19F3N2O

SMILES: Cc1nc(C(C)(C)C)cn(Cc2cccc(C(F)(F)F)c2)c1=O

BIRTHDAY: 2018-11-19T08:16:03.123623
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C18H31F3N6O4

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

BIRTHDAY: 2018-11-19T08:16:03.135186
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C22H20F3N5O3

SMILES: CNC(=O)c1ccncc1Oc1ccccc1C(=O)Nc1nc(C(F)(F)F)cnc1C(C)C

BIRTHDAY: 2018-11-19T08:16:03.148620
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C23H34ClN5O4

SMILES: CNC(=O)[C@H](NC(=O)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C1)[C@H](C)c1cc(Cl)ccn1

BIRTHDAY: 2018-11-19T08:16:03.159382
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C20H23ClN2O3

SMILES: Cc1cncc(COc2c(Cl)cccc2C(=O)[C@H](C)C(=O)N(C)C)c1C

BIRTHDAY: 2018-11-19T08:16:03.177133
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H19F3N2O

SMILES: Cc1ncc(C(C)(C)C)n(Cc2ccc(C(F)(F)F)cc2)c1=O

BIRTHDAY: 2018-11-19T08:16:03.185286
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:C21H18ClF3N4O

SMILES: CC(C)C(=O)Nc1ccc(-c2ncc(C(F)(F)F)c(Nc3cccc(Cl)c3)n2)cc1

BIRTHDAY: 2018-11-19T08:16:03.195240
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H21N7O2

SMILES: CC(C)Oc1ccnc(NC(=O)c2cnc(C3CC3)c(Nc3ncccn3)n2)c1

BIRTHDAY: 2018-11-19T08:16:03.205335
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H31F3N4O6

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCc1ccc(CC(=O)O)cn1)C(=O)C(F)(F)F

BIRTHDAY: 2018-11-19T08:16:03.217626
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C24H21N7O2

SMILES: COc1ccccc1-c1ccc(NC(=O)c2ncc(Nc3cncnc3)nc2C2CC2)nc1

BIRTHDAY: 2018-11-19T08:16:03.228265
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C19H31N5O2S2

SMILES: CC(C)C(=O)N[C@H](C)[C@@H]1CNCc2nc(cs2)C2=N[C@@H](CNCCOC1)CS2

BIRTHDAY: 2018-11-19T08:16:03.238190
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C24H31NO5

SMILES: COc1ccc(OC)c(OC)c1C[C@]12N=CC=C(C(C)C)C1=CC=CC2(OC)OC

BIRTHDAY: 2018-11-19T08:16:03.248170
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C21H27N3O4

SMILES: Cc1cc(NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)O)c2ccccc2c1

BIRTHDAY: 2018-11-19T08:16:03.257511
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C20H23N3O2

SMILES: C[C@@H](C(=O)c1ccccc1-c1ccncc1NC1CC1)C(=O)N(C)C

BIRTHDAY: 2018-11-19T08:16:03.265804
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H30N6O5

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CO)C(=O)Nc1ncncc1-c1ccccc1

BIRTHDAY: 2018-11-19T08:16:03.279042
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C32H29N3O4

SMILES: COc1ccc([C@H]2NCCN[C@@H]3C(=O)N(C(=O)Cc4cccc(c4)Oc4cccc2c4)c2ccccc23)cc1

BIRTHDAY: 2018-11-19T08:16:03.299269
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C22H20F4N4O

SMILES: CC(C)C(=O)Nc1ccccc1-c1cnc(C(F)(F)F)nc1NCc1ccccc1F

BIRTHDAY: 2018-11-19T08:16:03.309405
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C22H29F3N4O5

SMILES: CC(C)C(=O)N[C@H](C)C(=O)N1CC[C@@H](C(=O)N[C@H](C(=O)C(F)(F)F)[C@H](C)c2ncccc2O)C1

BIRTHDAY: 2018-11-19T08:16:03.321311
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C19H24ClN5O3

SMILES: CC(C)[C@@H](NC(=O)c1c(C(=O)N2CCOCC2)cnn1C)c1cncc(Cl)c1

BIRTHDAY: 2018-11-19T08:16:03.331399
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C15H27N3O2

SMILES: CC(=O)N1CCC[C@@H]1C(=O)N1CCCNCCC1(C)C

BIRTHDAY: 2018-11-19T08:16:03.338871
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H24F3N3O3

SMILES: CNC(=O)[C@H](NC(=O)c1cncc(OCC(F)(F)F)c1C1CC1)C(C)(C)C

BIRTHDAY: 2018-11-19T08:16:03.348403
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H17F3N4O2

SMILES: COc1ccccc1-c1nc2ccc(C(F)(F)F)nc2n2cc(C(=O)c3cccc(C)n3)cc12

BIRTHDAY: 2018-11-19T08:16:03.359518
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C26H30N2O5

SMILES: COC1=C[C@H]2C(C(C)C)=NC=C[C@]2(Cc2ccnc3c2C=C[C@H](OCC(=O)O)C3)C=C1OC

BIRTHDAY: 2018-11-19T08:16:03.369615
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C24H29NO5

SMILES: COc1cc2nc(C(C)C)cc(Cc3cc(OC)c(OC)c(OC)c3)c2cc1OC

BIRTHDAY: 2018-11-19T08:16:03.378822
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C23H30N6O5

SMILES: CC(C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)Nc1ncncc1-c1ccccc1

BIRTHDAY: 2018-11-19T08:16:03.392101
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C22H29F3N4O5

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N1CC[C@@H](C(=O)N[C@@H](C(=O)C(F)(F)F)[C@H](C)c2ncccc2O)C1

BIRTHDAY: 2018-11-19T08:16:03.403976
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C23H22N4O

SMILES: COc1ccccc1-c1cncc([C@H]2CCN2c2cncc3c2C=CCC3)n1

BIRTHDAY: 2018-11-19T08:16:03.412957
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C20H25N3O4

SMILES: C[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)O)C(=O)Nc1cccc2ccccc12

BIRTHDAY: 2018-11-19T08:16:03.432590
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H21N7O3

SMILES: CC(C)(O)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1

BIRTHDAY: 2018-11-19T08:16:03.443264
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H27N7O6

SMILES: CC(C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CO)C(=O)Nc1cnc(C(N)=O)nc1

BIRTHDAY: 2018-11-19T08:16:03.454638
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C16H27N5O5

SMILES: C[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NC1=NN[C@H](CC(=O)O)C1

BIRTHDAY: 2018-11-19T08:16:03.464156
ATC: B05A
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- BLOOD AND RELATED PRODUCTS
Synthesis Plan
FORMULA:C21H19N3O3

SMILES: COc1cccc([C@]23N=CC(=O)N[C@@H]2C=NC=C3[C@@H](O)c2ccccc2)c1

BIRTHDAY: 2018-11-19T08:16:03.474068
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C25H29N5O3

SMILES: CNC(=O)c1cc(Oc2ccc(C(=O)Nc3ncc(C(C)(C)C)nc3C(C)C)cc2)ccn1

BIRTHDAY: 2018-11-19T08:16:03.484196
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H21FN2O3

SMILES: Cc1cccc(COc2ccc(C(=O)[C@H](C)C(=O)N(C)C)cc2F)n1

BIRTHDAY: 2018-11-19T08:16:03.492512
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C28H36N2O5

SMILES: COC1=C[C@@H]2C=NC=C(C(C)C)[C@@]2(Cc2ccnc3c2C=C[C@@H](O[C@@H](C)[C@@H](O)CO)C3)C(OC)=C1

BIRTHDAY: 2018-11-19T08:16:03.503886
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C25H23FN4O2

SMILES: CC(C)(O)C(=O)c1cccc([C@]23C=CC=C[C@@H]2N=C[C@@]2(c4cccc(F)c4)NC=NN23)c1

BIRTHDAY: 2018-11-19T08:16:03.514854
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C18H28N4O4

SMILES: C[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N[C@H]1CC=CC=C1C(N)=O

BIRTHDAY: 2018-11-19T08:16:03.524085
ATC: A01A
- ALIMENTARY TRACT AND METABOLISM
- STOMATOLOGICAL PREPARATIONS
- STOMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C17H26F3N3O6

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

BIRTHDAY: 2018-11-19T08:16:03.534954
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C21H27N3O4

SMILES: Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)O)c2ccccc12

BIRTHDAY: 2018-11-19T08:16:03.544174
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C18H24F3N3O3

SMILES: CNC(=O)[C@@H](NC(=O)c1cc(OCC(F)(F)F)cnc1C1CC1)C(C)(C)C

BIRTHDAY: 2018-11-19T08:16:03.553724
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C21H23NO5

SMILES: COc1cc2cc(Cc3cc(OC)c(OC)c(OC)c3)cnc2cc1OC

BIRTHDAY: 2018-11-19T08:16:03.562358
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H30N2O

SMILES: CC(C)C(=O)N[C@]1(C)[C@@H]2CCC[C@]1([C@@]13C=CC=CC1=CC=CC3)CN2

BIRTHDAY: 2018-11-19T08:16:03.571192
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C22H16F3NO4

SMILES: O=C(c1ccc(OCc2cccc(C(F)(F)F)n2)cc1)[C@H]1Oc2ccccc2[C@@H]1O

BIRTHDAY: 2018-11-19T08:16:03.581117
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C22H31F3N4O3

SMILES: CC(C)C1(NC(=O)[C@@H](C)[C@]23C=CC=CC2=NCC(=O)N3[C@H](N)[C@H](O)C(F)(F)F)CCCC1

BIRTHDAY: 2018-11-19T08:16:03.593373
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C22H28ClF3N4O4

SMILES: CC(C)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCc1ccc(Cl)nc1)C(=O)C(F)(F)F

BIRTHDAY: 2018-11-19T08:16:03.604911
ATC: A07E
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C28H32N6O4

SMILES: CC(C)C(=O)N[C@H](C)C(=O)N[C@@H]1CC=CCOCc2cccc(c2)Nc2nccc(n2)-c2ccnc(c2)O1

BIRTHDAY: 2018-11-19T08:16:03.616678
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H36N4

SMILES: Cc1nc2cn1C[C@H]1C[C@H]3C[C@H]4CCN3[C@@H]([C@H]1Cc1cccc(c1)CNCC2)[C@H]4C

BIRTHDAY: 2018-11-19T08:16:03.626359
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C16H27N5O5

SMILES: C[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@]1(CC(=O)O)CC=NN1

BIRTHDAY: 2018-11-19T08:16:03.636248
ATC: R01A
- RESPIRATORY SYSTEM
- NASAL PREPARATIONS
- DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C23H23N3O2

SMILES: COc1cccc([C@]23C=CC=C[C@H]2N([C@@](C)(N)c2ccccc2)C(=O)C=N3)c1

BIRTHDAY: 2018-11-19T08:16:03.646279
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C23H20N4O

SMILES: COc1cccc(-c2nccnc2C2CN(c3cncc4ccccc34)C2)c1

BIRTHDAY: 2018-11-19T08:16:03.655451
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C20H21N7O2

SMILES: CC(C)Oc1ccc(NC(=O)c2cnc(C3CC3)c(Nc3ncccn3)n2)nc1

BIRTHDAY: 2018-11-30T17:22:42.025413
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H27N3O4

SMILES: Cc1cc(NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)O)c2ccccc2c1

BIRTHDAY: 2018-11-30T17:22:42.034602
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C23H29NO6

SMILES: COC1=CC(O)(O)Cc2cnc(Cc3c(OC)ccc(OC)c3OC)c(C(C)C)c21

BIRTHDAY: 2018-11-30T17:22:42.043621
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C18H13F3N6O

SMILES: O=C(Nc1ccccc1[C@]12N=CC=CN1C=NN2)c1ccncc1C(F)(F)F

BIRTHDAY: 2018-11-30T17:22:42.053935
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C18H31F3N6O4

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

BIRTHDAY: 2018-11-30T17:22:42.083075
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C15H19N3O5S

SMILES: C[C@@H](NC(=O)[C@](C)(O)c1ccccc1)C(=O)N[C@]1(C)OSNC1=O

BIRTHDAY: 2018-11-30T17:22:42.092259
ATC: G03C
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ESTROGENS
Synthesis Plan
FORMULA:C25H33NO4

SMILES: COc1ccc(-c2ccc([C@H]3C[C@@H](OC)CCC=C[C@H](OC)[C@@H](OC)C3)cn2)cc1

BIRTHDAY: 2018-11-30T17:22:42.100874
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C27H25N5O2S

SMILES: CN(C)C(=O)c1ccc(-c2ccc(-c3ccc(C(=O)Nc4nc5c(s4)CNCC5)cc3)cc2)nc1

BIRTHDAY: 2018-11-30T17:22:42.110877
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C22H29F3N4O5

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCc1ccc(O)nc1)C(=O)C(F)(F)F

BIRTHDAY: 2018-11-30T17:22:42.122019
ATC: C02D
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
Synthesis Plan
FORMULA:C13H17N5O4

SMILES: N#C[C@]1(O)COCC(=O)CCCOc2cncc(n2)NCN1

BIRTHDAY: 2018-11-30T17:22:42.130953
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C26H29N3O2

SMILES: COc1ccc(-c2cncc(-c3ccc(C(=O)NCCCN4CCCC4)cc3)c2)cc1

BIRTHDAY: 2018-11-30T17:22:42.139421
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C24H25N3O2

SMILES: COc1cccc([C@@]23C=CC=C[C@H]2N([C@](C)(N)Cc2ccccc2)C(=O)C=N3)c1

BIRTHDAY: 2018-11-30T17:22:42.156614
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C28H36N2O5

SMILES: COC1=CC=C[C@]2(OC)C=NC=C(C(C)C)[C@@]12Cc1ccnc2c1C=C[C@@H](O[C@@H](C)[C@@H](O)CO)C2

BIRTHDAY: 2018-11-30T17:22:42.167507
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C19H25N5O3

SMILES: CC(C)[C@H](NC(=O)c1cc(C(=O)N2CCOCC2)nn1C)c1ccccn1

BIRTHDAY: 2018-11-30T17:22:42.176729
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C25H34N4O4

SMILES: CO[C@]12N=CC=C[C@]1(c1cccc(NC(=O)[C@@H](C)C(C)(C)C)c1)N=CC(=O)N2CC(C)(C)O

BIRTHDAY: 2018-11-30T17:22:42.186775
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C18H28N4O4

SMILES: C[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NC1=CC[C@@H](C(N)=O)C=C1

BIRTHDAY: 2018-12-02T16:05:50.584287
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C24H33N3O3

SMILES: COC1(OC)C=CC=C2N=CC=C([C@@]3(C(=O)NC(C)(C)C)CN4CC=C[C@@H]3CC4)[C@@H]21

BIRTHDAY: 2018-12-02T16:05:50.604074
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C17H26F3N3O6

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

BIRTHDAY: 2018-12-02T16:05:50.623722
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C23H20F3N5O2

SMILES: COc1ccc([C@]23N=C[C@]4(C(F)(F)F)C=CC=CN4[C@H]2NC=C3C(=O)N2C=CC=CN2)cc1

BIRTHDAY: 2018-12-02T16:05:50.635535
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H14F5N5O

SMILES: N#Cc1ccc(-c2ccc(-c3cnc(OCC(F)(F)F)cc3-c3ccc(C(F)F)nc3)cn2)cn1

BIRTHDAY: 2018-12-02T16:05:50.646858
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C24H21F3N6O2

SMILES: O=C(CC(F)(F)F)Nc1ccc(-c2ccnc3nc(Nc4cccc(OCC5CC5)c4)nn23)cc1

BIRTHDAY: 2018-12-02T16:05:50.686410
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C26H28N4O3

SMILES: C[C@@H](Oc1ccccc1[C@]12C=CC([C@@H](O)c3ccccc3)=N[C@@H]1N=CC(=O)N2)N1CCCC1

BIRTHDAY: 2018-12-02T16:05:50.715350
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C19H25N3O2

SMILES: CC(C)C(=O)N[C@H](C)C(=O)N[C@H](C)C1=Nc2ccccc2C=CC1

BIRTHDAY: 2018-12-02T16:05:50.723443
ATC: A07E
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C25H23N5O2

SMILES: CC1=C(c2ccncc2-c2cnc([C@@H]3CCN3c3ccnc4c3C=CCC4)cn2)OCO1

BIRTHDAY: 2018-12-02T16:05:50.742384
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H28N2O2

SMILES: C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@H]1C1=CC=CC=CC=C1

BIRTHDAY: 2018-12-03T10:42:12.352690
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C21H28N4O3

SMILES: Cc1ccccc1Oc1cncc(NC(C)C)c1C(=O)N[C@@H](C)C(=O)N(C)C

BIRTHDAY: 2018-12-03T10:42:12.362141
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H31N7O6

SMILES: CCNC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)c1c(C(=O)N2CCOCC2)n[nH]c1N)C(C)C

BIRTHDAY: 2018-12-03T10:42:12.373491
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C22H18F3N3O2

SMILES: Cc1cnc2c(-c3ccccc3C(=O)C(C)(C)O)nc3ccc(C(F)(F)F)cc3n12

BIRTHDAY: 2018-12-03T10:42:12.392967
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H29N3O3

SMILES: CC(C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@]1(C)C=CC=C2C=CC=C[C@H]21

BIRTHDAY: 2018-12-03T10:42:12.401587
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C24H18F3N5O

SMILES: COc1ccccc1-c1nc2ccc(C(F)(F)F)nc2n2c(-c3ncccc3C)c(C)nc12

BIRTHDAY: 2018-12-03T10:42:12.412239
ATC: M03B
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
Synthesis Plan
FORMULA:C22H28ClF3N4O4

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N1CC[C@@H](C(=O)N[C@@H](C(=O)C(F)(F)F)[C@H](C)c2cc(Cl)ccn2)C1

BIRTHDAY: 2018-12-03T10:42:12.423955
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C23H29NO6

SMILES: COc1ccc(OC)c(OC)c1CC1=C[C@]2(OC)C(=CC=CC2(O)O)N=C1C(C)C

BIRTHDAY: 2018-12-03T10:42:12.433576
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C21H20BrN7O2

SMILES: CC(C)(C(=O)Br)c1cc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccn1

BIRTHDAY: 2018-12-03T10:42:12.452657
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H22N4O

SMILES: COc1cccc(-c2cnc([C@H]3CCN3c3ccnc4c3C=CCC4)cn2)c1

BIRTHDAY: 2018-12-03T19:10:37.879246
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H29N5O3

SMILES: CNC(=O)c1ccncc1Oc1ccccc1C(=O)Nc1cnc(C(C)(C)C)c(C(C)C)n1

BIRTHDAY: 2018-12-03T19:10:37.889737
ATC: N07X
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- OTHER NERVOUS SYSTEM DRUGS
Synthesis Plan
FORMULA:C23H29NO6

SMILES: COC1=CC=C2C(C(C)C)=CN=C[C@]2(Cc2c(OC)ccc(OC)c2OC)C1(O)O

BIRTHDAY: 2018-12-03T19:10:37.900788
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C19H22N2O3

SMILES: Cc1cccc(COc2ccc(C(=O)[C@@H](C)C(=O)N(C)C)cc2)n1

BIRTHDAY: 2018-12-03T19:10:37.908673
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C25H27F3N2O3

SMILES: COC1=CC2=CN=CC(C)(C)[C@@]2(Cc2ccnc3c2C[C@@H](OCC(F)(F)F)C=C3)C(OC)=C1

BIRTHDAY: 2018-12-03T19:10:37.919162
ATC: G03A
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C23H22N4O

SMILES: COc1ccccc1-c1nccnc1[C@@H]1CCN1c1cncc2c1C=CCC2

BIRTHDAY: 2018-12-03T19:10:37.937095
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:C23H23N5O

SMILES: Cc1cccc(C)c1Nc1nc(C#N)ncc1-c1ccccc1NC(=O)C(C)C

BIRTHDAY: 2018-12-03T19:10:37.946462
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C23H20N4O

SMILES: COc1cccc(-c2cnc(C3CN(c4ccc5ccccc5n4)C3)cn2)c1

BIRTHDAY: 2018-12-03T19:10:37.954990
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H30N2O5

SMILES: COC1=C(OC)[C@H]2C(C(C)C)=CN=C[C@]2(Cc2ccnc3c2C=C[C@H](OCC(=O)O)C3)C=C1

BIRTHDAY: 2018-12-03T19:10:37.964952
ATC: M03C
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, DIRECTLY ACTING AGENTS
Synthesis Plan
FORMULA:C27H44N6O6

SMILES: CNC(=O)[C@@H](CCc1ccc(C(C)(C)C)cn1)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(C)C

BIRTHDAY: 2018-12-03T19:10:37.977289
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C21H21N7O2

SMILES: O=C(Nc1ccccc1[C@@]12N=CC=CN1C=NN2)c1ccncc1N1CCOCC1

BIRTHDAY: 2018-12-03T19:10:37.987764
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C24H15F3N6O

SMILES: O=C(Nc1cccc(-c2ccnc3nc(-c4cccnc4)nn23)c1)c1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-12-03T19:10:38.016627
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H23N3O2

SMILES: COc1ccc([C@@]23C=CC=C[C@@H]2N([C@@](C)(N)c2ccccc2)C(=O)C=N3)cc1

BIRTHDAY: 2018-12-03T19:10:38.026675
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C25H22F3N5O2

SMILES: COc1ccc([C@@H]2C=N[C@@]3(C(=O)c4ncc(C)c(C)n4)NC=C[C@]34C(C(F)(F)F)=CC=CN24)cc1

BIRTHDAY: 2018-12-03T19:10:38.049593
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H29N3O4

SMILES: C[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)O)C(=O)N[C@@]1(C)C=CC=C2C=CC=C[C@H]21

BIRTHDAY: 2018-12-01T22:29:42.377760
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C21H29N3O4

SMILES: CC1=C[C@H]2C=CC=C[C@H]2C=C1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)O

BIRTHDAY: 2018-12-01T22:29:42.386976
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C23H21N3O2

SMILES: COc1ccccc1-c1nc2ccccc2n([C@H](N)Cc2ccccc2)c1=O

BIRTHDAY: 2018-12-01T22:29:42.395817
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C19H30N6O5

SMILES: Cc1ncc(NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)cn1

BIRTHDAY: 2018-12-01T22:29:42.406600
ATC: H01A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C19H14F3N5O

SMILES: O=C(Nc1ccccc1[C@]12N=CC=CN1C=NN2)c1ccccc1C(F)(F)F

BIRTHDAY: 2018-12-01T22:29:42.416782
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C22H34N6O6

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(N)=O)[C@H](C)c1ccncc1

BIRTHDAY: 2018-12-01T22:29:42.437660
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C21H28N4O3

SMILES: Cc1ccccc1Oc1cncc(NC(C)C)c1C(=O)N[C@H](C)C(=O)N(C)C

BIRTHDAY: 2018-12-01T22:29:42.447194
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H22N4O

SMILES: COc1cccc(-c2cncc(C3CN(c4cnc5c(c4)C=CCC5)C3)n2)c1

BIRTHDAY: 2018-12-01T22:29:42.455749
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H32ClN5O4

SMILES: CNC(=O)[C@H](CCc1ccc(Cl)nc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)C(C)C

BIRTHDAY: 2018-12-01T22:29:42.465988
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C16H10F5N3O2Se

SMILES: O=c1[nH]c2nc(C(F)(F)[SeH])ccc2nc1-c1ccccc1OCC(F)(F)F

BIRTHDAY: 2018-12-01T22:29:42.476060
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C25H19F3N6O3

SMILES: CNC(=O)c1cc(Oc2ccc(C(=O)Nc3ccc(C(F)(F)F)cn3)cc2-c2nccnc2C)ccn1

BIRTHDAY: 2018-12-01T22:29:42.488678
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H28ClF3N4O4

SMILES: CC(C)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCc1ccc(Cl)nc1)C(=O)C(F)(F)F

BIRTHDAY: 2018-12-01T22:29:42.500760
ATC: A07E
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C19H31N5O2

SMILES: CN1CCC(C(=O)N2Cc3c(n[nH]c3NC(=O)C(C)(C)C)C2(C)C)CC1

BIRTHDAY: 2018-12-01T22:29:42.527847
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H26N4O4

SMILES: Cc1c(C(C)C)ncc(=O)n1CC(=O)Nc1ccccc1C(=O)N1CCOCC1

BIRTHDAY: 2018-12-01T22:29:42.537179
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C26H30N2O5

SMILES: COC1=CC=C(OC)[C@@]2(Cc3ccnc4c3C=C[C@H](OCC(=O)O)C4)C=C(C(C)C)N=C[C@H]12

BIRTHDAY: 2018-12-01T22:29:42.548886
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan