matter.farm

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

These compounds may interact with:

Alpha-1B adrenergic receptor

Potentially involved in: carcinoma; ureter carcinoma; ureterolithiasis; hyperekplexia; cardiomegaly; hypotension; kidney diseases; liver cirrhosis, experimental; nerve degeneration; seizures; neurotoxicity syndromes; mood disorders; medulloblastoma, large-cell; psoriasis; essential hypertension; orthostatic hypotension; allergic reactions; anaphylaxis; peripheral vascular disease; acute exacerbation of asthma

Disease data sourced from Pharos.

Other_unknown

FORMULA:C28H36N2O3

SMILES: CC(C)C[C@H](Cc1ccc(OCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1)C(=O)O

BIRTHDAY: 2018-12-01T14:11:30.103402
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C26H31N5O2

SMILES: COc1ccc(N2CCNC[C@]2(N)C(C)(C)NC(=O)c2ccccc2-c2cccnc2)cc1

BIRTHDAY: 2018-12-01T14:11:30.114033
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C24H32N2O3

SMILES: COc1ccc(OC)c(C(=O)NC(C)(C)N2CCCC[C@]2(C)c2ccccc2)c1

BIRTHDAY: 2018-12-01T14:11:30.122710
ATC: D04A
- DERMATOLOGICALS
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
Synthesis Plan
FORMULA:C28H36N2O3

SMILES: CC(C)C[C@@H](Cc1ccc(OCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1)C(=O)O

BIRTHDAY: 2018-12-01T14:11:30.131917
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C20H25N3O4S

SMILES: COc1cccc([C@@H](C)N[C@H](C)NC[C@H](O)c2c(O)ccc3[nH]c(=O)sc23)c1

BIRTHDAY: 2018-12-01T14:11:30.159799
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C27H37NO3

SMILES: CC(C)C[C@@H](Cc1ccc(O[C@H](C)N2CCC(Cc3ccccc3)CC2)cc1)C(=O)O

BIRTHDAY: 2018-12-01T14:11:30.187018
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H31N5O2

SMILES: COc1ccc(N2CCNC[C@@]2(N)C(C)(C)NC(=O)c2ccccc2-c2cccnc2)cc1

BIRTHDAY: 2018-12-01T14:11:30.197627
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C42H82N4O2

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

BIRTHDAY: 2018-12-01T14:11:30.218239
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C41H74N2O3S

SMILES: C[C@@H](CCC(=O)O[C@@H](C)[C@@]1(N)N[C@@H]2C=CC=C[C@H]2CSC1=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-12-01T14:11:30.239014
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C27H37NO3

SMILES: CC(C)C[C@H](Cc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1)C(=O)O

BIRTHDAY: 2018-12-01T14:11:30.247879
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:C24H30N6O2

SMILES: COc1ccc(N2CCNC[C@@]2(N)C(C)(C)NC(=O)c2ccccc2-c2cnc[nH]2)cc1

BIRTHDAY: 2018-12-01T14:11:30.258491
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C27H37NO3

SMILES: CC(C)C[C@@H](Cc1ccccc1O[C@H](C)N1CCCC[C@]1(C)c1ccccc1)C(=O)O

BIRTHDAY: 2018-12-25T02:03:32.954067
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C38H58N6O4

SMILES: CC(C)C[C@@H](Cc1ccccc1OCCN1CCC(c2c[nH]c3ccccc23)CC1)[C@]1(O)CNC(=O)CNCCNCCNCCCO1

BIRTHDAY: 2018-12-25T02:03:32.968723
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C41H84N2O2

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

BIRTHDAY: 2018-12-25T02:03:32.978657
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:C26H31N5O2

SMILES: COc1cccc(N2CCNC[C@]2(N)C(C)(C)NC(=O)c2cccc(-c3cccnc3)c2)c1

BIRTHDAY: 2018-12-25T02:03:32.989618
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis Plan
FORMULA:C8H15NO3

SMILES: CO[C@@H]1[C@@H]2CO[C@H](C2)O[C@H]1CN

BIRTHDAY: 2018-12-25T02:03:32.996014
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C25H31N5O2

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ncc[nH]3)cc2)CC1

BIRTHDAY: 2018-12-25T02:03:33.016234
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C21H26N2O3

SMILES: COc1cccc(CC(C)(C)NC[C@H](O)COc2cccc(C#N)c2)c1

BIRTHDAY: 2018-12-25T02:03:33.043301
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C27H37NO3

SMILES: CC(C)C[C@H](Cc1ccccc1O[C@@H](C)N1CCCC[C@@]1(C)c1ccccc1)C(=O)O

BIRTHDAY: 2018-12-25T02:03:33.052182
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H30N6O2

SMILES: COc1cccc(N2CCN[C@](N)(C(C)(C)NC(=O)c3ccccc3-c3c[nH]cn3)C2)c1

BIRTHDAY: 2018-12-25T02:03:33.062665
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C27H32N4O2

SMILES: COc1cccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccccn4)cc3)CC2)c1

BIRTHDAY: 2018-12-25T02:03:33.081650
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C28H38N2O3

SMILES: CC(C)C[C@H](Cc1ccccc1O[C@@H](C)N1CCCC[C@@H]1[C@H]1NC=C2C=CC=C[C@@H]21)C(=O)O

BIRTHDAY: 2018-12-25T02:03:33.091330
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C29H49N3OS

SMILES: CC(C)C[C@H](Cc1cccc(OCCN2CCC(C3=NN(CC(C)(C)C)CS3)CC2)c1)C(C)C

BIRTHDAY: 2018-12-25T02:03:33.117813
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H30N2O4

SMILES: COc1ccc(CCNCCN2C(=O)CC3(CCCC3)CC2=O)cc1OC

BIRTHDAY: 2018-12-03T02:39:38.370507
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C25H27N5O

SMILES: CC(C)(NC(=O)c1ccccc1-c1cnc[nH]1)N1CCC[C@](C#N)(c2ccccc2)C1

BIRTHDAY: 2018-12-03T02:39:38.410749
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C26H31N5O2

SMILES: COc1ccccc1N1CCNC[C@]1(N)C(C)(C)NC(=O)c1ccccc1-c1cccnc1

BIRTHDAY: 2018-12-03T02:39:38.440335
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C24H28ClN5O

SMILES: O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2ncc[nH]2)cc1

BIRTHDAY: 2018-12-03T02:39:38.468862
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C28H43N5O2S

SMILES: CC(C)C[C@]1(c2ccccc2)CNCCN(CCN2CCC[C@H](NCCc3ccccn3)C2)S1(=O)=O

BIRTHDAY: 2018-12-03T02:39:38.479299
ATC: G02C
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- OTHER GYNECOLOGICALS
Synthesis Plan
FORMULA:C35H57NO2

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCc1c[cH-]c(C(=O)c2cccc(O)c2)[nH+]1

BIRTHDAY: 2018-12-03T02:39:38.497254
ATC: N01B
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, LOCAL
Synthesis Plan
FORMULA:C26H31N5O2

SMILES: COc1ccc(N2CCNC[C@@]2(N)C(C)(C)NC(=O)c2ccccc2-c2ccncc2)cc1

BIRTHDAY: 2018-12-03T02:39:38.518310
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C28H38N2O3

SMILES: CC(C)C[C@H](Cc1ccccc1O[C@@H](C)N1CCCC[C@H]1[C@@H]1NC=C2C=CC=C[C@H]21)C(=O)O

BIRTHDAY: 2018-12-03T02:39:38.546670
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H27N5O

SMILES: N#CC1(c2ccccc2)CCN(CCCNC(=O)c2ccc(-c3ncc[nH]3)cc2)CC1

BIRTHDAY: 2018-11-30T03:41:34.476147
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis plan pending
FORMULA:C28H38N2O3

SMILES: CC(C)C[C@H](Cc1ccccc1O[C@H](C)N1CCCC[C@@H]1[C@H]1NC=C2C=CC=C[C@@H]21)C(=O)O

BIRTHDAY: 2018-11-30T03:41:34.516880
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C21H26N2O3

SMILES: COc1ccc(CC(C)(C)NC[C@H](O)COc2ccc(C#N)cc2)cc1

BIRTHDAY: 2018-11-30T03:41:34.524941
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis plan pending
FORMULA:C24H30N6O2

SMILES: COc1ccc(N2CCNC[C@]2(N)C(C)(C)NC(=O)c2ccccc2-c2cnc[nH]2)cc1

BIRTHDAY: 2018-11-30T03:41:34.535499
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis plan pending
FORMULA:C27H37NO3

SMILES: CC(C)C[C@@H](Cc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1)C(=O)O

BIRTHDAY: 2018-11-30T03:41:34.552538
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:C21H24N2O3

SMILES: COc1ccc(CCNCCCOc2ccc(-c3ncco3)cc2)cc1

BIRTHDAY: 2018-11-30T03:41:34.560344
ATC: H04A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PANCREATIC HORMONES
- GLYCOGENOLYTIC HORMONES
Synthesis plan pending
FORMULA:C29H37ClN2O3

SMILES: CC(C)C[C@@H](Cc1ccc(OCCN2CCCCC2)cc1)N1C(=O)C[C@@H](c2cccc(Cl)c2)C1=O

BIRTHDAY: 2018-11-30T03:41:34.571720
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis plan pending
FORMULA:C31H51NO2

SMILES: CCCCCCCCCCCCCCC[C@H]1C[C@H]2C[C@H]3C[C@@H]([C@H]2N3)[C@@H]1[C@H](O)c1ccc(O)cc1

BIRTHDAY: 2018-11-30T03:41:34.580221
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis plan pending
FORMULA:C24H29N5O

SMILES: CC(C)(CNC(=O)c1ccccc1-c1cnc[nH]1)N1CCN(c2ccccc2)CC1

BIRTHDAY: 2018-11-30T03:41:34.589143
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis plan pending
FORMULA:C5H10N2

SMILES: CC1(C)CN[CH+][N-]1

BIRTHDAY: 2018-11-30T03:41:34.594274
ATC: D06A
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- ANTIBIOTICS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C20H29N3O4

SMILES: CC(C)C[C@@H](Cc1ccccc1O[C@H](C)N1CCCC2=NON[C@H]21)C(=O)O

BIRTHDAY: 2018-11-30T03:41:34.603288
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis plan pending
FORMULA:C23H34FN3O

SMILES: C[C@@H](N1CCCC2=C3CCCCCCC[C@]21OC3)C(N)(N)c1cccc(F)c1

BIRTHDAY: 2018-11-19T08:15:17.171594
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis plan pending
FORMULA:C22H28F3N3O2

SMILES: NC(=O)C12CC(c3ccc(C(F)(F)F)cc3)(C1)[C@@H]2C(=O)NCCCN1CCCCC1

BIRTHDAY: 2018-11-19T08:15:17.181297
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:C18H24F2N2O

SMILES: N[C@@H](Cc1cc(F)ccc1F)[C@@H]1CCC[C@H](N2CCCC2=O)C1

BIRTHDAY: 2018-11-19T08:15:17.189159
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis plan pending
FORMULA:C24H30N6O2

SMILES: COc1cccc(N2CCNC[C@@]2(N)C(C)(C)NC(=O)c2ccccc2-c2cnc[nH]2)c1

BIRTHDAY: 2018-11-19T08:15:17.199852
ATC: G02C
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- OTHER GYNECOLOGICALS
Synthesis plan pending
FORMULA:C33H67NO

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC(C)C

BIRTHDAY: 2018-11-19T08:15:17.207106
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis plan pending
FORMULA:C25H27N5O

SMILES: CC(C)(NC(=O)c1ccccc1-c1cnc[nH]1)N1CCC[C@@](C#N)(c2ccccc2)C1

BIRTHDAY: 2018-11-19T08:15:17.216520
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis plan pending
FORMULA:C29H37ClN2O3

SMILES: CC(C)C[C@H](Cc1ccccc1O[C@@H](C)N1CCCCC1)N1CC(=O)C(=O)[C@H]1c1ccc(Cl)cc1

BIRTHDAY: 2018-11-19T08:15:17.237227
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis plan pending
FORMULA:C25H36N2O

SMILES: CN(C)CCC[C@H](c1ccccc1)c1ccc(OCCN2CCCCC2)cc1

BIRTHDAY: 2018-11-19T08:15:17.245061
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C27H36N2O4

SMILES: COc1ccc(C(=O)NCCCN2CC[C@H](c3ccc(C(C)(C)C)cc3)CC2=O)cc1OC

BIRTHDAY: 2018-11-19T08:15:17.254381
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis plan pending
FORMULA:C20H30N2O5

SMILES: CC(C)C[C@H](Cc1ccccc1O[C@@]1(CO)NCCNCCC1=O)C(=O)O

BIRTHDAY: 2018-11-19T08:15:17.263552
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C25H27N5O

SMILES: CC(C)(NC(=O)c1ccccc1-c1cnc[nH]1)N1CCCC[C@@]1(C#N)c1ccccc1

BIRTHDAY: 2018-11-19T08:15:17.290890
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:C28H38N2O3

SMILES: CC(C)C[C@@H](Cc1ccccc1O[C@H](C)N1CCCC[C@H]1[C@@H]1NC=C2C=CC=C[C@H]21)C(=O)O

BIRTHDAY: 2018-11-19T08:15:17.300403
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C26H33N3O3

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)CCCC3=O)CC1

BIRTHDAY: 2018-11-19T08:15:17.309411
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C29H41N3O2S

SMILES: CC(C)C[C@H](Cc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1)[C@@]1(C)NC(=O)NS1

BIRTHDAY: 2018-11-19T08:15:17.340161
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C28H38N2O3

SMILES: CC(C)C[C@H](Cc1cccc(O[C@H](C)N2CCCC[C@@H]2[C@H]2NC=C3C=CC=C[C@@H]32)c1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:17.349454
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C29H29FN2O3S

SMILES: O[C@H]1C[C@@H](c2ccccc2)Sc2cccc(OCCN3CCC(c4noc5cc(F)ccc45)CC3)c21

BIRTHDAY: 2018-11-19T08:15:17.359779
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C20H29N3O3S

SMILES: CC(C)C[C@@H](Cc1ccc(OCCN2CCC[C@H]3NSN=C32)cc1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:17.368489
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C46H87N15O2S2

SMILES: COc1ccc(N2CCNC[C@@]2(N)C(C)(C)NC(=O)c2ccccc2[C@@H]2CSSCCCNCCNCCNCCNCCNCCNCCNCCNCCNCCNCCN2)cc1

BIRTHDAY: 2018-11-19T08:15:17.391806
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis plan pending
FORMULA:C25H39N3O3S

SMILES: CC(C)C[C@H](Cc1ccc(OCCN2CCC([C@@]34CN[C@H](CS3)C4)CC2)cc1)C(=O)NO

BIRTHDAY: 2018-11-19T08:15:17.401334
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:C25H36N2O3

SMILES: COc1ccccc1C(c1ccccc1OC)C(C)(C)N[C@@H](C)NC(=O)C(C)(C)C

BIRTHDAY: 2018-11-19T08:15:17.431623
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C27H37NO3

SMILES: CC(C)C[C@@H](Cc1ccccc1O[C@@H](C)N1CCCC[C@@]1(C)c1ccccc1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:17.440376
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C26H34N2O3

SMILES: CC(C)C[C@@H](c1ccccc1)[C@@]1(C)COC[C@@H](C)CC=Cc2cncc(c2N)OC1=O

BIRTHDAY: 2018-11-19T08:15:17.449743
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C28H38N2O3

SMILES: CC(C)C[C@H](Cc1ccccc1O[C@H](C)N1CCCC[C@@H]1[C@@H]1NC=C2C=CC=C[C@@H]21)C(=O)O

BIRTHDAY: 2018-11-19T08:15:17.459204
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C28H38N2O3

SMILES: CC(C)C[C@@H](Cc1ccccc1O[C@@H](C)N1CCCC[C@H]1[C@@H]1NC=C2C=CC=C[C@H]21)C(=O)O

BIRTHDAY: 2018-11-19T08:15:17.468745
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C21H21N5O3

SMILES: N#C[C@@H](CN1CCC[C@@H]1CO)c1ccc(-c2ccc3[nH]c(=O)n[n+]([O-])c3c2)cc1

BIRTHDAY: 2018-11-19T08:15:17.478286
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis plan pending
FORMULA:C19H24ClFN2O2

SMILES: O=C1CC2(CCCC2)CC(=O)N1CCCNCc1ccc(Cl)c(F)c1

BIRTHDAY: 2018-11-19T08:15:17.486307
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis plan pending
FORMULA:C23H30N2O3

SMILES: COc1ccc(-c2ccc([C@H](C)[C@H](N)C(=O)N3CCCCC3)cc2)cc1OC

BIRTHDAY: 2018-11-19T08:15:17.494670
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:C27H28N4O

SMILES: CC(C)(NC(=O)c1ccccc1-c1ccncc1)N1CCC[C@@](C#N)(c2ccccc2)C1

BIRTHDAY: 2018-11-19T08:15:17.503977
ATC: V09D
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- HEPATIC AND RETICULO ENDOTHELIAL SYSTEM
Synthesis plan pending
FORMULA:C21H30N2O4

SMILES: COc1cccc([C@@H](C)N[C@@H](C)N2CC(=O)C3(CCCC3)C(=O)C2)c1OC

BIRTHDAY: 2018-11-19T08:15:17.521388
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis plan pending
FORMULA:C31H32O

SMILES: CC(C)[C@]12C=CC=C[C@@H]1c1ccc(cc1)CCCCc1ccc(cc1)Oc1cccc2c1

BIRTHDAY: 2018-11-19T08:15:17.547983
ATC: C02B
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, GANGLION-BLOCKING
Synthesis plan pending
FORMULA:C31H63NO

SMILES: CC(C)CNC(=O)CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:15:17.563353
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C25H27N5O

SMILES: C[C@@H](CNC(=O)c1ccccc1-c1cnc[nH]1)N1CCC[C@@](C#N)(c2ccccc2)C1

BIRTHDAY: 2018-11-19T08:15:17.572924
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis plan pending
FORMULA:C28H38N2O3

SMILES: CC(C)C[C@@H](Cc1ccccc1O[C@H](C)N1CCCC[C@@H]1[C@@H]1NC=C2C=CC=C[C@H]21)C(=O)O

BIRTHDAY: 2018-11-19T08:15:17.582416
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C33H67NO

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCC

BIRTHDAY: 2018-11-19T08:15:17.589653
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis plan pending
FORMULA:C25H31N5O2

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(-c3c[nH]cn3)c2)CC1

BIRTHDAY: 2018-11-19T08:15:17.599094
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis plan pending
FORMULA:C28H38N2O3

SMILES: CC(C)C[C@@H](Cc1ccccc1O[C@H](C)N1CCCC[C@@H]1[C@H]1NC=C2C=CC=C[C@@H]21)C(=O)O

BIRTHDAY: 2018-11-19T08:15:17.608589
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C23H36N4O2S

SMILES: OCCOc1ccccc1N1CCN(CCCCNC2=N[C@H]3C[C@@H](CCS3)C2)CC1

BIRTHDAY: 2018-11-30T17:23:56.085509
ATC: N04A
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- ANTICHOLINERGIC AGENTS
Synthesis Plan
FORMULA:C28H38N2O3

SMILES: CC(C)C[C@H](Cc1ccccc1O[C@@H](C)N1CCCC[C@H]1[C@H]1NC=C2C=CC=C[C@H]21)C(=O)O

BIRTHDAY: 2018-11-30T17:23:56.143631
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H29ClN4O3

SMILES: COc1ccc(C(=O)NC(C)(C)[C@@]2(N)CNCCN2c2ccccc2Cl)c(OC)c1

BIRTHDAY: 2018-12-02T16:07:03.958784
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C21H30N2O4

SMILES: COc1cc(OC)cc([C@H](C)N[C@@H](C)N2CC(=O)C3(CCCC3)C(=O)C2)c1

BIRTHDAY: 2018-12-02T16:07:04.004451
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C31H63NO

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(C)C

BIRTHDAY: 2018-12-02T16:07:04.011478
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C29H60N2O2

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

BIRTHDAY: 2018-12-02T16:07:04.019317
ATC: A10A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- INSULINS AND ANALOGUES
Synthesis Plan
FORMULA:C25H27N5O

SMILES: CC(C)(NC(=O)c1cccc(-c2cnc[nH]2)c1)N1CCC[C@](C#N)(c2ccccc2)C1

BIRTHDAY: 2018-12-02T16:07:04.028798
ATC: H02A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
Synthesis Plan
FORMULA:C27H40N4O3

SMILES: CC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CCCNCCNCc1ccc(O)cc1

BIRTHDAY: 2018-12-02T16:07:04.038613
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C35H61NO2

SMILES: CCCCCCCCCCCCCCCCCCC[C@H]1CCCCNc2ccc(cc2)CC[C@H](C)OC1=O

BIRTHDAY: 2018-12-02T16:07:04.056835
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C13H16N2OS3

SMILES: COc1ccccc1N1CCN(C2=CSSS2)CC1

BIRTHDAY: 2018-12-03T10:43:26.030285
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis Plan
FORMULA:C23H29N3O

SMILES: CNC(=O)CCCCC1=Nc2ccccc2N[C@@H](c2ccc(C)cc2)[C@H]1C

BIRTHDAY: 2018-12-03T10:43:26.038605
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C21H38O

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

BIRTHDAY: 2018-12-03T10:43:26.045104
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C28H38N2O3

SMILES: CC(C)C[C@H](Cc1ccccc1O[C@@H](C)N1CCCC[C@H]1[C@@H]1NC=C2C=CC=C[C@@H]21)C(=O)O

BIRTHDAY: 2018-12-03T10:43:26.062201
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H26N2O3

SMILES: COc1cccc(CC(C)(C)NC[C@@H](O)COc2ccc(C#N)cc2)c1

BIRTHDAY: 2018-12-03T10:43:26.070337
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C20H31N3O4

SMILES: CC(C)CC(=O)NCCCCNC[C@H](O)COc1ccc(OCC#N)cc1

BIRTHDAY: 2018-12-03T10:43:26.124054
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C27H37NO3

SMILES: CC(C)C[C@@H](Cc1cccc(O[C@H](C)N2CCC(Cc3ccccc3)CC2)c1)C(=O)O

BIRTHDAY: 2018-12-03T19:11:50.840641
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C20H24FN3O2S

SMILES: O=C1CC2(CCCC2)CC(=O)N1CCCNCc1cc(F)c2sncc2c1

BIRTHDAY: 2018-12-03T19:11:50.858983
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C35H49N3O

SMILES: CC(C)C[C@H](Cc1ccc(OCCN2CCC[C@H](c3c[nH]c4ccccc34)C2)cc1)C1=NCCCCCCC1

BIRTHDAY: 2018-12-03T19:11:50.869134
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C22H33N3O2

SMILES: CC(C)C[C@H](Cc1ccc(OCCCN2CCC(C#N)CC2)cc1)C(N)=O

BIRTHDAY: 2018-12-03T19:11:50.876993
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H29N3O

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

BIRTHDAY: 2018-12-03T19:11:50.885644
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C21H26N2O

SMILES: O[C@H]1NCC[C@@H]2C=CC=CC2=CCCC[C@]12NC=C1C=CC=C[C@H]12

BIRTHDAY: 2018-12-03T19:11:50.929940
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C24H35NO4

SMILES: CC(C)C[C@@H](Cc1ccccc1O[C@H](C)N1CCC[C@@H]2CCC=CO[C@@H]21)C(=O)O

BIRTHDAY: 2018-12-03T19:11:50.967310
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C27H33NO2

SMILES: COc1ccc(-c2ccc([C@@H](C)CCNCCCc3ccccc3)cc2)cc1OC

BIRTHDAY: 2018-12-03T19:11:50.975330
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C26H31N5O2

SMILES: COc1ccc(N2CCNC[C@]2(N)C(C)(C)NC(=O)c2ccccc2-c2ccncc2)cc1

BIRTHDAY: 2018-12-01T22:30:56.773155
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C28H37N3O3

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2ccc([C@H]3C[C@H]4CC[C@H]3O4)cc2)CC1

BIRTHDAY: 2018-12-01T22:30:56.820658
ATC: C02C
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis Plan
FORMULA:C19H25FN2O2

SMILES: O=C1CC2(CCCC2)CC(=O)N1CCCNCc1ccc(F)cc1

BIRTHDAY: 2018-12-01T22:30:56.828268
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C23H36N4O3

SMILES: CC(C)C[C@H](Cc1ccc(OCCN2CCC(C3=[NH+]NC[C@H]3N)CC2)cc1)C(=O)[O-]

BIRTHDAY: 2018-12-01T22:30:56.837535
ATC: G03A
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C24H26FN3O2

SMILES: N#Cc1ccc2c(c1)CC[C@]1(CCN(CCCNCc3ccc(F)cc3)C(=O)C1)O2

BIRTHDAY: 2018-12-01T22:30:56.873294
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C25H33N3O3S

SMILES: CC(C)C[C@@H](Cc1ccccc1O[C@H](C)N1CC[C@@]23C=CC=C[C@@]2(C1)N=CNS3)C(=O)O

BIRTHDAY: 2018-12-01T22:30:56.911856
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C22H33NO2

SMILES: CCCOC(=O)[C@H](CC(C)C)C1=C(CCN(C)C)Cc2ccccc21

BIRTHDAY: 2018-12-01T22:30:56.919366
ATC: A10A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- INSULINS AND ANALOGUES
Synthesis Plan