matter.farm

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

These compounds may interact with:

Acetyl-CoA carboxylase 1

Potentially involved in: endometrial cancer; breast cancer; kidney cancer; carcinoma; liver cancer; fatty liver disease; obesity; hepatic coma; biotin deficiency; diabetes mellitus; cancer; heart failure; muscle hypotonia; myopathy; growth retardation; growth delay; growth failure; poor growth; liver carcinoma; very poor growth

Disease data sourced from Pharos.

Unknown Action

FORMULA:C20H25NO2

SMILES: CC(=O)N[C@@H](C)c1ccccc1-c1ccccc1OC(C)(C)C

BIRTHDAY: 2018-12-01T14:11:52.647773
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C25H27NO3

SMILES: CC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2)cc1

BIRTHDAY: 2018-12-01T14:11:52.656068
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C17H27N3O2

SMILES: CC1CCCC(C(=O)NCC(=O)N2CCC[C@H]2C#N)CCC1

BIRTHDAY: 2018-12-01T14:11:52.663471
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C19H23NO2

SMILES: CC(=O)N[C@H](C)c1ccccc1-c1ccccc1OC(C)C

BIRTHDAY: 2018-12-01T14:11:52.670788
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C24H22F3NO3

SMILES: CC(=O)N[C@H](C)c1ccccc1-c1ccccc1Oc1ccccc1OCC(F)(F)F

BIRTHDAY: 2018-12-01T14:11:52.680404
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C24H22F3NO3

SMILES: CC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3ccc(OCC(F)(F)F)cc3)cc2)cc1

BIRTHDAY: 2018-12-01T14:11:52.697310
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C26H29N5O4

SMILES: CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3nc4ccccc4c4c3COCO4)CC1)C2

BIRTHDAY: 2018-12-01T14:11:52.708063
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C36H32N6O5S2

SMILES: CSc1cccc2c1Oc1cccc(c1)-c1ncnc(c1N1c3cncc(n3)OCCC(=O)COC=CN[C@H]1C)Sc1cccc(c1)OC2

BIRTHDAY: 2018-12-25T02:03:54.457285
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H25NO2

SMILES: CC(=O)N[C@@H](C)c1ccc(-c2ccc(OC(C)(C)C)cc2)cc1

BIRTHDAY: 2018-12-03T02:40:00.777735
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis Plan
FORMULA:C28H33N5O3

SMILES: COc1ccc(OCC(=O)N2CCN(c3ncc(C#N)cc3[C@H]3C[C@@H]4C[C@H]5CCCN4[C@@H]53)CC2)cc1

BIRTHDAY: 2018-12-03T02:40:00.788818
ATC: A03B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- BELLADONNA AND DERIVATIVES, PLAIN
Synthesis Plan
FORMULA:C21H27NO3

SMILES: CCOc1cc(-c2ccc([C@H](C)NC(C)=O)cc2)ccc1OC(C)C

BIRTHDAY: 2018-12-03T02:40:00.813807
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C25H27NO3

SMILES: CC(=O)N[C@@H](C)c1ccccc1-c1ccccc1Oc1ccccc1OC(C)C

BIRTHDAY: 2018-12-03T02:40:00.822353
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C20H28N8O2Ru

SMILES: CC(C)(C)n1ncc2c1N[C@]1(CCCCN1C(=O)[C@]1(N)CN=CC([NH-])=C1N)C(=O)[CH-]2.[Ru+2]

BIRTHDAY: 2018-12-03T02:40:00.833719
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C26H30N2O3

SMILES: CC(C)Oc1ccc(-c2ccc3[nH]c(=O)c4c(c3c2)CCN(C(=O)C(C)(C)C)C4)cc1

BIRTHDAY: 2018-11-30T03:41:57.017566
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C25H28N6O3

SMILES: COc1cccc(OCC(=O)N2CCN(c3c(C#N)ccnc3-c3ccn(C(C)C)n3)CC2)c1

BIRTHDAY: 2018-11-30T03:41:57.028110
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis plan pending
FORMULA:C27H28F3N3O3

SMILES: Cc1cccc(-c2c[nH]c(-c3ccccc3O)c2C(=O)NCC(=O)N2CCCC[C@@]2(C)C(F)(F)F)c1

BIRTHDAY: 2018-11-30T03:41:57.049739
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis plan pending
FORMULA:C25H27NO3

SMILES: CC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2)cc1

BIRTHDAY: 2018-11-30T03:41:57.057989
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis plan pending
FORMULA:C27H33N5O4

SMILES: CC(C)(C)n1ncc2c1N[C@@]1(CCCCN1C(=O)[C@]13C=CC=CC1=CC=NC31OCCCO1)C(=O)C2

BIRTHDAY: 2018-11-30T03:41:57.069453
ATC: J01E
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- SULFONAMIDES AND TRIMETHOPRIM
Synthesis plan pending
FORMULA:C24H26N4O4

SMILES: COc1cccc(OCC(=O)N2CCN(c3c(C#N)ccnc3C#CC(C)(C)O)CC2)c1

BIRTHDAY: 2018-11-30T03:41:57.079279
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C24H22F3NO3

SMILES: CC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3ccc(OCC(F)(F)F)cc3)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:52.361280
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis plan pending
FORMULA:C27H34N2O3

SMILES: CC(C)Oc1cccc(-c2ccc3c(c2)C(=O)[C@]2(CCCCN2C(=O)C(C)(C)C)NC3)c1

BIRTHDAY: 2018-11-19T08:12:52.370320
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C37H42N8O3

SMILES: CC(C)(C)n1cc2c(n1)N[C@@]1(CCCCN1C(=O)c1c3cccc1-c1ccnc(n1)Nc1cccc(c1)CNCC=CCCO3)C(=O)C2

BIRTHDAY: 2018-11-19T08:12:52.384581
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C19H23NO2

SMILES: CC(=O)N[C@@H](C)c1ccccc1-c1ccccc1OC(C)C

BIRTHDAY: 2018-11-19T08:12:52.391922
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C25H27NO3

SMILES: CC(=O)N[C@H](C)c1ccccc1-c1ccccc1Oc1ccccc1OC(C)C

BIRTHDAY: 2018-11-19T08:12:52.408643
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis plan pending
FORMULA:C24H22F3NO3

SMILES: CC(=O)N[C@H](C)c1ccc(-c2cccc(Oc3ccccc3OCC(F)(F)F)c2)cc1

BIRTHDAY: 2018-11-19T08:12:52.435233
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis plan pending
FORMULA:C19H27N5O3

SMILES: CC(=O)N[C@H](C)C#Cc1cnc(N2CCC(C(=O)NCCCO)CC2)nc1

BIRTHDAY: 2018-11-19T08:12:52.444056
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis plan pending
FORMULA:C26H30N6O3

SMILES: COc1ccc(OCC(=O)N2CCN(c3ncc(-c4cnn(CC(C)C)c4)cc3C#N)CC2)cc1

BIRTHDAY: 2018-11-19T08:12:52.464573
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:C26H29NO2

SMILES: CC(=O)N[C@@H](C)c1ccccc1-c1ccccc1Oc1ccccc1C(C)(C)C

BIRTHDAY: 2018-11-19T08:12:52.472774
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis plan pending
FORMULA:C41H39N9O4

SMILES: COc1ccc(OCC(=O)N2CCN(c3ncc(-c4cc5c6nn(cc6c4)CCN4CC[C@@H](C4)Oc4cccc6nc(C)c-5nc46)cc3C#N)CC2)cc1

BIRTHDAY: 2018-11-19T08:12:52.488823
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C25H28N6O3

SMILES: COc1cccc(OCC(=O)N2CCN(c3c(-c4ccn(C(C)C)n4)ccnc3C#N)CC2)c1

BIRTHDAY: 2018-11-19T08:12:52.499542
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis plan pending
FORMULA:C26H31N5O4

SMILES: CC(C)(C)n1ncc2c1N[C@]1(CCCCN1C(=O)[C@]13C=CC=C[C@@H]1N=CC1=C3COCO1)C(=O)C2

BIRTHDAY: 2018-11-19T08:12:52.522304
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:C25H28N6O3

SMILES: COc1cccc(OCC(=O)N2CCN(c3ncc(-c4cnn(C(C)C)c4)cc3C#N)CC2)c1

BIRTHDAY: 2018-11-19T08:12:52.532802
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C18H30N2O7S

SMILES: CC1(C)CN[C@@]23OCCOCCOCCOCCOC2=CC=C[C@@H]3S(=O)(=O)N1

BIRTHDAY: 2018-11-19T08:12:52.543416
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:C16H23NO2

SMILES: C[C@H]1CCCCNC(=O)CCc2ccc(cc2)OC1

BIRTHDAY: 2018-11-19T08:12:52.550412
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis plan pending
FORMULA:C25H27NO2

SMILES: CC(=O)N[C@H](C)c1ccccc1-c1ccccc1Oc1ccccc1C(C)C

BIRTHDAY: 2018-11-19T08:12:52.558583
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis plan pending
FORMULA:C17H15NO4

SMILES: CC(C)Oc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1

BIRTHDAY: 2018-11-19T08:12:52.582751
ATC: P02B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTITREMATODALS
Synthesis plan pending
FORMULA:C18H25N7

SMILES: CC(C)Nc1ncc2c(n1)N=CN1Cc3nn(C(C)(C)C)cc3C[C@@H]21

BIRTHDAY: 2018-11-19T08:12:52.591559
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis plan pending
FORMULA:C36H48N6O2

SMILES: COc1ccc(CCCCN2CCc3cn(C(C)(C)C)nc3[C@@]23CNCc2cccc(c2)OCCCCn2cnc3c2)cc1

BIRTHDAY: 2018-11-19T08:12:52.604039
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis plan pending
FORMULA:C23H33N7O2

SMILES: CC1=N[C@@]2(N3CCCC[C@@]34C(=O)CNc3cnn(C(C)(C)C)c34)C(=N1)C(=O)CNC2(C)C

BIRTHDAY: 2018-11-19T08:12:52.615222
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis plan pending
FORMULA:C23H33N5O2

SMILES: CN[C@H]1C=C(C(=O)N2CCC3(CC2)Cc2cnn(C(C)(C)C)c2C(=O)N3)C=C(C)C1

BIRTHDAY: 2018-11-19T08:12:52.625019
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:C24H26N4O4

SMILES: COc1ccccc1OCC(=O)N1CCN(c2cnc(C#CC(C)(C)O)cc2C#N)CC1

BIRTHDAY: 2018-11-19T08:12:52.635123
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis plan pending
FORMULA:C25H28N2O3

SMILES: CC(=O)N[C@@H](C)c1ccccc1-c1ccccc1Oc1ccccc1OC[C@@H](C)N

BIRTHDAY: 2018-11-19T08:12:52.644136
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis plan pending
FORMULA:C26H29NO3

SMILES: CC(=O)N[C@@H](C)c1ccccc1-c1ccccc1Oc1ccccc1OC(C)(C)C

BIRTHDAY: 2018-11-19T08:12:52.652657
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis plan pending
FORMULA:C19H23NO2

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

BIRTHDAY: 2018-11-19T08:12:52.659772
ATC: S01F
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- MYDRIATICS AND CYCLOPLEGICS
Synthesis plan pending
FORMULA:C16H22N4O2

SMILES: CC(C)(C)n1cc2c(n1)C(=O)N1C[C@H](C#N)COCC[C@H]1C2

BIRTHDAY: 2018-11-19T08:12:52.667867
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis plan pending
FORMULA:C26H30N6O3

SMILES: COc1cccc(OCC(=O)N2CCN(c3c(C#N)ccnc3-c3ccn(CC(C)C)n3)CC2)c1

BIRTHDAY: 2018-11-19T08:12:52.678550
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis plan pending
FORMULA:C19H23NO2

SMILES: CC(=O)N[C@H](C)c1ccc(-c2ccc(OC(C)C)cc2)cc1

BIRTHDAY: 2018-11-19T08:12:52.685388
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis plan pending
FORMULA:C26H39N3O3

SMILES: CC(=O)N1CCCC[C@H]1N1CCNCCCC=CC(=O)Cc2cccc(OC(C)C)c2C1

BIRTHDAY: 2018-11-19T08:12:52.695575
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis plan pending
FORMULA:C29H27N3O4S

SMILES: COc1ccccc1O[C@H]1CCOc2cccc(c2)Sc2cc(ncn2)-c2cccc(c2)CNC(=O)C1

BIRTHDAY: 2018-11-19T08:12:52.706899
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C26H31N5O4

SMILES: CC(C)(C)n1ncc2c1N[C@@]1(CCCCN1C(=O)[C@@]13C=CC=C[C@@H]1N=CC1=C3COCO1)C(=O)C2

BIRTHDAY: 2018-11-19T08:12:52.719153
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:C24H30N2O2

SMILES: CC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)C1

BIRTHDAY: 2018-11-19T08:12:52.727129
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C36H43N9O

SMILES: CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(c3ccc4cc3CNCC=CCCNc3cccc(c3)-c3ccnc(n3)N4)CC1)C2

BIRTHDAY: 2018-11-19T08:12:52.740293
ATC: G03A
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis plan pending
FORMULA:C29H40N6O2

SMILES: CC(C)(C)n1cc2c(n1)C1(CCN(C(=O)C3=N[C@@H]4CCN5C[C@H]6CC[C@@H]5[C@H](C6)[C@H]4C=C3)CC1)C(=O)NC2

BIRTHDAY: 2018-11-19T08:12:52.751428
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis plan pending
FORMULA:C21H27NO3

SMILES: CCOc1cc(-c2ccc([C@@H](C)NC(C)=O)cc2)ccc1OC(C)C

BIRTHDAY: 2018-11-19T08:12:52.759035
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis plan pending
FORMULA:C22H29N5O

SMILES: CC(C)(C)CC#Cc1ncn2c1[C@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1-2

BIRTHDAY: 2018-11-30T17:24:17.266897
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C25H28N6O3

SMILES: COc1ccccc1OCC(=O)N1CCN(c2c(C#N)ccnc2-c2ccn(C(C)C)n2)CC1

BIRTHDAY: 2018-11-30T17:24:17.309185
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C26H31N5O2

SMILES: CNc1cc2ccccc2cc1C(=O)N1CCC2(CC1)Cc1cnn(C(C)(C)C)c1C(=O)N2

BIRTHDAY: 2018-11-30T17:24:17.318908
ATC: A05B
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- LIVER THERAPY, LIPOTROPICS
Synthesis Plan
FORMULA:C20H25NO2

SMILES: CC(=O)N[C@H](C)c1ccccc1-c1ccccc1OC(C)(C)C

BIRTHDAY: 2018-11-30T17:24:17.326292
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C27H33N5O4

SMILES: CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)C3=C4C=CC=C[C@@H]4[C@]4(CCOCO4)N=C3)CC1)C2

BIRTHDAY: 2018-12-02T16:07:26.454896
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C12H19N3

SMILES: CC(C)(C)n1cc2c(n1)CN1CC[C@@H]1C2

BIRTHDAY: 2018-12-02T16:07:26.461179
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C24H26N4O4

SMILES: COc1ccc(OCC(=O)N2CCN(c3ncc(C#N)cc3C#CC(C)(C)O)CC2)cc1

BIRTHDAY: 2018-12-02T16:07:26.470881
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C26H31N5O4

SMILES: CC(C)(C)n1ncc2c1N[C@]1(CCCCN1C(=O)[C@@]13C=CC=C[C@@H]1N=CC1=C3COCO1)C(=O)C2

BIRTHDAY: 2018-12-02T16:07:26.508547
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C26H24F3N3O2

SMILES: COc1ccccc1-c1ccccc1C(=O)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@@H]2C1

BIRTHDAY: 2018-12-02T16:07:26.519061
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C25H28N6O3

SMILES: COc1ccc(OCC(=O)N2CCN(c3ncc(-c4cnn(C(C)C)c4)cc3C#N)CC2)cc1

BIRTHDAY: 2018-12-02T16:07:26.529537
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C17H23N5O2S

SMILES: CC(C)(C)n1ncc2c1CC(=O)[C@]1(CCCCN1C1=COSN=C1)N2

BIRTHDAY: 2018-12-02T16:07:26.539135
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C26H31N5O4

SMILES: CC(C)(C)n1ncc2c1N[C@]1(CCCCN1C(=O)[C@@]13C=CC=C[C@H]1N=CC1=C3COCO1)C(=O)C2

BIRTHDAY: 2018-12-02T16:07:26.551372
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C25H29N5O2

SMILES: CN[C@]1(C(=O)N2CCCc3c2c(=O)[nH]c2nn(C(C)(C)C)cc32)C=CC=C2C=CC=C[C@@H]21

BIRTHDAY: 2018-12-03T10:43:47.329585
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H28N6O3

SMILES: COc1cccc(OCC(=O)N2CCN(c3cc(C#N)nc(-c4ccnn4C(C)C)c3)CC2)c1

BIRTHDAY: 2018-12-03T10:43:47.340197
ATC: G03D
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- PROGESTOGENS
Synthesis Plan
FORMULA:C36H41N9O3

SMILES: CC(C)(C)n1ncc2c1[C@]1(CCC[C@]3(N4CCCC(=O)C4=O)C=C4N=C(Nc5cncc(c5)CCc5cccc(c5)CN4)N31)C(=O)CN2

BIRTHDAY: 2018-12-03T10:43:47.355196
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C26H30N6O3

SMILES: COc1ccc(OCC(=O)N2CCN(c3ncc(-c4cnn(C(C)(C)C)c4)cc3C#N)CC2)cc1

BIRTHDAY: 2018-12-03T10:43:47.365796
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H26N6O3

SMILES: COc1cccc(Oc2ccc3c(c2)[C@]2(C(=O)N4CCCCC4(C)C)NN=NN2N=C3)c1

BIRTHDAY: 2018-12-03T10:43:47.377175
ATC: C03A
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, THIAZIDES
Synthesis Plan
FORMULA:C24H26N4O4

SMILES: COc1cccc(OCC(=O)N2CCN(c3cncc(C#CC(C)(C)O)c3C#N)CC2)c1

BIRTHDAY: 2018-12-03T10:43:47.386889
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C29H30N4O3

SMILES: COc1ccccc1Oc1ccc(-c2ccc([C@@H]3C[C@@H](C)CNCC(=O)Nc4[nH]ncc43)cc2)cc1

BIRTHDAY: 2018-12-03T10:43:47.397351
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H31N5O4

SMILES: CC(C)(C)n1ncc2c1N[C@@]1(CCCCN1C(=O)[C@]13C=CC=C[C@@H]1N=CC1=C3COCO1)C(=O)C2

BIRTHDAY: 2018-12-03T10:43:47.430240
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C25H28N2O3

SMILES: CC(C)Oc1ccc(-c2ccc3[nH]c(=O)c4c(c3c2)CCN(C(=O)C(C)C)C4)cc1

BIRTHDAY: 2018-12-03T10:43:47.438966
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C18H25N5O3

SMILES: CC(C)(C)n1cc2c(n1)CC1(CCN([C@H]3CC(=O)NC3=O)CC1)NC2=O

BIRTHDAY: 2018-12-03T10:43:47.448068
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C23H29N3O

SMILES: CC(C)(C)c1ccc(C2=C(C(=O)NC3(C#N)CC3)[C@@H]3CC[C@@H](CC2)N3)cc1

BIRTHDAY: 2018-12-03T19:12:13.202868
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C21H25F2NO3

SMILES: CC(=O)N[C@H](C)c1ccccc1-c1cc(OCC(F)F)ccc1OC(C)C

BIRTHDAY: 2018-12-03T19:12:13.211907
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:C20H22F3NO3

SMILES: COc1cccc(O[C@H](C)C(F)(F)F)c1-c1ccccc1[C@H](C)NC(C)=O

BIRTHDAY: 2018-12-03T19:12:13.221023
ATC: A12B
- ALIMENTARY TRACT AND METABOLISM
- MINERAL SUPPLEMENTS
- POTASSIUM
Synthesis Plan
FORMULA:C27H34N8O3

SMILES: CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3cc4c[nH]nc4c(O)c3NC34CNC(C3)C4)CC1)C2

BIRTHDAY: 2018-12-03T19:12:13.252096
ATC: J01E
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- SULFONAMIDES AND TRIMETHOPRIM
Synthesis Plan
FORMULA:C27H33N5O4

SMILES: CC(C)(C)n1cc2c(n1)NC(=O)C1(CCN(C(=O)C3=C4C=CC=C[C@@H]4C4(N=C3)OCCCO4)CC1)C2

BIRTHDAY: 2018-12-03T19:12:13.263111
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C21H25N5O3

SMILES: CC(C)(C)n1ncc2c1N[C@]1(CCCCN1C(=O)[C@@]13N=CC=CC1=CO3)C(=O)C2

BIRTHDAY: 2018-12-03T19:12:13.290540
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C25H28N6O3

SMILES: COc1cccc(OCC(=O)N2CCN(c3c(-c4ccnn4C(C)C)ccnc3C#N)CC2)c1

BIRTHDAY: 2018-12-01T22:31:18.567034
ATC: J02A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOTICS FOR SYSTEMIC USE
- ANTIMYCOTICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C26H34N4O3

SMILES: CC(C)(C)Oc1ccc(-c2ccc3c(c2)CNC(=O)C32CCN([C@@H]3CNNCO3)CC2)cc1

BIRTHDAY: 2018-12-01T22:31:18.576969
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C26H31N5O2

SMILES: CNc1cc2ccccc2cc1C(=O)N1CCC[C@]2(Cc3cnn(C(C)(C)C)c3C(=O)N2)C1

BIRTHDAY: 2018-12-01T22:31:18.587344
ATC: A05B
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- LIVER THERAPY, LIPOTROPICS
Synthesis Plan
FORMULA:C24H22F3NO3

SMILES: CC(=O)N[C@@H](C)c1ccccc1-c1ccccc1Oc1ccccc1OCC(F)(F)F

BIRTHDAY: 2018-12-01T22:31:18.607624
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C19H29NO3S

SMILES: CC(=O)NC(C)(C)Oc1ccccc1[C@@H]1COC(C)(C)C(C)(C)S1

BIRTHDAY: 2018-12-01T22:31:18.622179
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan