matter.farm

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

These compounds may interact with:

Cathepsin K

Potentially involved in: pycnodysostosis; osteoporosis; osteopetrosis; arthritis; root resorption; periodontitis; cancer; osteonecrosis; angiomyolipoma; osteomyelitis; dental caries; exophthalmos; glioblastoma; hypodontia; micrognathism; osteochondrodysplasias; osteosclerosis; schizophrenia; curvature of spine; spondylolisthesis

Disease data sourced from Pharos.

Inhibitor

FORMULA:C17H24N4O5

SMILES: CC(C)C[C@H](NC(=O)Oc1ccoc(=O)n1)C(=O)N[C@@H](C#N)CC(C)C

BIRTHDAY: 2018-12-01T14:10:21.086931
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:C20H29N3O3

SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C#N)CC(C)C

BIRTHDAY: 2018-12-01T14:10:21.095185
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:C21H31N3O3

SMILES: CC(C)C[C@H](C#N)NC(=O)[C@@H](CC(C)(C)C)NC(=O)OCc1ccccc1

BIRTHDAY: 2018-12-01T14:10:21.103433
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:C18H21F3N2O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1COCC1=O

BIRTHDAY: 2018-12-01T14:10:21.112949
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C21H31N3O3

SMILES: CC(C)C[C@@H](C#N)NC(=O)[C@H](CC(C)(C)C)NC(=O)OCc1ccccc1

BIRTHDAY: 2018-12-01T14:10:21.121255
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:C26H25N3O3

SMILES: COc1ccc(C[C@H](C#N)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1

BIRTHDAY: 2018-12-01T14:10:21.139432
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C28H34N4O

SMILES: CC(C)C[C@H](C#N)NC1=CC2=NC1=Cc1ccc([nH]1)CCCCC=CCCCc1ccc2o1

BIRTHDAY: 2018-12-01T14:10:21.148822
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C21H31N3O3

SMILES: CC(C)C[C@@H](C#N)NC(=O)[C@@H](CC(C)(C)C)NC(=O)OCc1ccccc1

BIRTHDAY: 2018-12-01T14:10:21.157073
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:C18H21F3N2O4

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)N[C@@H]1COCC1=O

BIRTHDAY: 2018-12-01T14:10:21.166568
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C18H21F3N2O4

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)N[C@@H]1CC(=O)CO1

BIRTHDAY: 2018-12-01T14:10:21.176259
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C20H29N3O3

SMILES: CC(C)C[C@@H](C#N)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1

BIRTHDAY: 2018-12-01T14:10:21.184481
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:C24H34N4O

SMILES: CC(C)(C)C[C@H](C#N)NC(=O)[C@H]1N=CCC=N[C@@]1(C)c1ccccc1C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:21.193945
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C21H29F3N6O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)C(F)(F)F

BIRTHDAY: 2018-12-01T14:10:21.205238
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:C30H32N4O6S

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1C(=O)N2CCS(=O)(=O)[C@H]12)O[C@@H]1[C@H]2[C@H]3C[C@H]4C[C@@H]1C[C@H]2N4c1ccccc13

BIRTHDAY: 2018-12-01T14:10:21.218210
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C27H34N2O5

SMILES: COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2=Cc3cncc(c3)OCCCOCCC2)cc1

BIRTHDAY: 2018-12-01T14:10:21.236248
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C30H34N6O4

SMILES: CC(C)C[C@@H](Nc1ccc2cc1COCC=CCOCc1coc(c1)-c1ccnc(n1)N2)C(=O)NC1(C#N)CC1

BIRTHDAY: 2018-12-25T02:02:23.418425
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H37N3O2

SMILES: CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCOCCCCCCCCNc2ccc1cc2

BIRTHDAY: 2018-12-25T02:02:23.435542
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C29H37N5O4

SMILES: CC(C)C[C@H](NC(=O)c1cccc(C(N)=O)c1)C(=O)N[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)NCC#N

BIRTHDAY: 2018-12-25T02:02:23.446574
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H23F3N2O2

SMILES: C[C@H](NC(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)c1)c1ccccc1

BIRTHDAY: 2018-12-25T02:02:23.456394
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1N[C@]2(NCCS2(=O)=O)C1=O)OCc1ccccc1

BIRTHDAY: 2018-12-25T02:02:23.468039
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H21F3N2O4

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CC(=O)CO1

BIRTHDAY: 2018-12-25T02:02:23.477513
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C18H21F3N2O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1COC(=O)C1

BIRTHDAY: 2018-12-25T02:02:23.486925
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C33H35N7O2

SMILES: CC(C)C[C@H](N[C@H]1OCC=CCn2ccc3ccc(cc32)-c2ccnc(n2)Nc2cccc1c2)C(=O)NC1(C#N)CC1

BIRTHDAY: 2018-12-25T02:02:23.534373
ATC: V09X
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- OTHER DIAGNOSTIC RADIOPHARMACEUTICALS
Synthesis Plan
FORMULA:C23H19ClFN3O3

SMILES: NC(=O)[C@H](Cc1ccccc1NC(=O)c1ccc(Cl)cc1)NC(=O)c1cccc(F)c1

BIRTHDAY: 2018-12-25T02:02:23.554724
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C20H29N3O3

SMILES: CC(C)C[C@H](C#N)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1

BIRTHDAY: 2018-12-25T02:02:23.563037
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:C22H24N4O6S

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1N[C@]2(NCCS2(=O)=O)C1=O)OCc1ccccc1

BIRTHDAY: 2018-12-25T02:02:23.575495
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H23N3O4

SMILES: CC1(C)C[C@@H]2N[C@@H]1CO[C@H]2C(=O)N1CC(=O)O[C@H](C#N)Cc2ccccc21

BIRTHDAY: 2018-12-25T02:02:23.584788
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C28H39N5O5S

SMILES: CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)O[C@@]12C=CC=C[C@@H]1NC(=O)N(Cc1ccccc1)S2

BIRTHDAY: 2018-12-25T02:02:23.597241
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C18H21F3N2O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1COCC1=O

BIRTHDAY: 2018-12-03T02:38:27.649413
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C20H29N3O3

SMILES: CC(C)C[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

BIRTHDAY: 2018-12-03T02:38:27.657649
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:C16H18N6O3

SMILES: C[C@@H](C(=O)N(N)C(=O)c1ccccc1C#N)N1N=NCC(=O)C1(C)C

BIRTHDAY: 2018-12-03T02:38:27.685523
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H29F3N6O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C(F)(F)F

BIRTHDAY: 2018-12-03T02:38:27.713557
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:C28H31N3O3

SMILES: C[C@@H](CC(=O)N(C)C)c1ccccc1NC(=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1

BIRTHDAY: 2018-12-03T02:38:27.723746
ATC: N06D
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTI-DEMENTIA DRUGS
Synthesis Plan
FORMULA:C26H31F3N4O2S

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)cc1)C(=O)N[C@@H]1C=CNSCC1

BIRTHDAY: 2018-12-03T02:38:27.743987
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C29H47N3O6

SMILES: CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C(C)(C)O

BIRTHDAY: 2018-12-03T02:38:27.763502
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C21H30N4O4

SMILES: CC(C)C[C@H](C#N)NC(=O)[C@@H](CC(C)(C)C)NC(=O)O[C@]12C=[C-]C=C[C@@H]1CN=[O+]2

BIRTHDAY: 2018-12-03T02:38:27.773565
ATC: A11D
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Synthesis Plan
FORMULA:C19H16N4O2

SMILES: N#CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1

BIRTHDAY: 2018-12-03T02:38:27.781838
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H29F3N6O4

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1C(N)=O)C(=O)N[C@@H](C(=O)C(F)(F)F)C(C)(C)NC(=N)N

BIRTHDAY: 2018-12-03T02:38:27.793913
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C23H18F6N2O2

SMILES: C[C@@H]1C=C(C(=O)NCc2cccc(C(F)(F)F)c2)C=C1C(=O)Nc1ccccc1C(F)(F)F

BIRTHDAY: 2018-12-03T02:38:27.804898
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C26H30N4O4

SMILES: CC(C)[C@@H](C#N)NC(=O)C[C@]1(C)Nc2cccc(c2)CNCC(=O)c2ccc(cc2)C(=O)CO1

BIRTHDAY: 2018-12-03T02:38:27.824400
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C24H28N4O4

SMILES: COc1ccc(C[C@H](C#N)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c2ccccc2C)cc1

BIRTHDAY: 2018-11-30T03:40:23.834982
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C27H27N3O3

SMILES: COc1ccc(C[C@@H](C#N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2C)cc1

BIRTHDAY: 2018-11-30T03:40:23.854434
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C20H18N4O3

SMILES: COc1ccccc1C[C@H](NC(=O)c1ccccc1C#N)C(=O)NCC#N

BIRTHDAY: 2018-11-30T03:40:23.863655
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C22H24N2O3

SMILES: CC(C)[C@@]1(C)CO[C@@H]2C=CC=C[C@@H]2CC=Cc2cncc(c2C#N)OC1=O

BIRTHDAY: 2018-11-30T03:40:23.898325
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C23H23F3N4O3

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1)C(=O)NCC#N

BIRTHDAY: 2018-11-30T03:40:23.908627
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C23H23F3N4O3

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccc(C(F)(F)F)c1)C(=O)NCC#N

BIRTHDAY: 2018-11-30T03:40:23.919204
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H38N2O6

SMILES: CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@]1(CC(C)C)COCC(=O)C(=O)C1(C)C

BIRTHDAY: 2018-11-30T03:40:23.929679
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C23H36N6O3

SMILES: CC(C)C[C@@H](C#N)NC(=O)[C@@]1(CC(C)C)CN(CCC(=O)NCC#N)[C@@H]2CCN1C(=O)C2

BIRTHDAY: 2018-11-30T03:40:23.939640
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C23H23F3N4O3

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1)C(=O)NCC#N

BIRTHDAY: 2018-11-30T03:40:23.950058
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C27H27N3O3

SMILES: COc1ccccc1C[C@H](C#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C)c1

BIRTHDAY: 2018-11-30T03:40:23.960334
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H]1N[C@@]2(NCCS2(=O)=O)C1=O)OCc1ccccc1

BIRTHDAY: 2018-11-30T03:40:23.971847
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C31H41ClN4O3

SMILES: CC(C)C[C@@H](NC(=O)c1cccc2c1CCC(=O)NCCN(C)CCCC=C2)C(=O)NCc1ccc(Cl)cc1

BIRTHDAY: 2018-11-30T03:40:23.982753
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C14H24O2

SMILES: C[C@H]1CC=CCCCCCCCC(=O)OC1

BIRTHDAY: 2018-11-30T03:40:23.997155
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C28H36N4O3

SMILES: CC(=O)N[C@@H](Cc1ccccc1-c1ccccc1C(C)(C)C)C(=O)N[C@@H](C(=O)NCC#N)C(C)C

BIRTHDAY: 2018-11-19T08:16:52.288971
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C25H26F3N3O5

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)N[C@H]1CC(=O)CO1

BIRTHDAY: 2018-11-19T08:16:52.309965
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H26F3N3O5

SMILES: CC(C)C[C@H](NC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)N[C@@H]1CC(=O)CO1

BIRTHDAY: 2018-11-19T08:16:52.333478
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C20H23N3O2

SMILES: COc1ccc(C[C@H](C#N)NC(=O)[C@@H](C)Nc2ccc(C)cc2)cc1

BIRTHDAY: 2018-11-19T08:16:52.341664
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C28H26F3N3O2

SMILES: CC(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C#N)Cc1ccc(-c2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:16:52.351983
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C26H38N4O7

SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)C(=O)NCC(=O)N1CCOCC1)C(C)C

BIRTHDAY: 2018-11-19T08:16:52.363421
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H35N3O3

SMILES: CC(C)C[C@@H](C#N)NC(=O)[C@@H](CC(C)C)NC(=O)OC1=C[C@H]2CC[C@H]1C2(C)C

BIRTHDAY: 2018-11-19T08:16:52.372183
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:C21H30N4O3

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

BIRTHDAY: 2018-11-19T08:16:52.380978
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C33H40N2O5S

SMILES: COC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1-c1ccccc1[C@@H]1[C@H]2N=C(C)C(=O)[C@H]1CC(=O)S2)C(C)C)C(C)(C)C

BIRTHDAY: 2018-11-19T08:16:52.392726
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C29H37N5O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(N)=O)C(=O)N[C@@H](Cc1ccccc1C(C)(C)C)C(=O)NCC#N

BIRTHDAY: 2018-11-19T08:16:52.403837
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C28H36N4O3

SMILES: CC(=O)N[C@H](Cc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)N[C@H](C(=O)NCC#N)C(C)C

BIRTHDAY: 2018-11-19T08:16:52.413499
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C22H28F3N3O2

SMILES: CC(C)[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@H](C#N)C1(C)CCCCC1

BIRTHDAY: 2018-11-19T08:16:52.422896
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C21H30N6O3

SMILES: COc1ccc(C[C@@H](C#N)NC(=O)[C@H](C)NC(=O)[C@H]2NC[C@H]3CN(C)CN2C3)cc1

BIRTHDAY: 2018-11-19T08:16:52.432677
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C26H24ClN3O3

SMILES: COc1ccccc1C[C@@H](C#N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1

BIRTHDAY: 2018-11-19T08:16:52.443216
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C21H31N3O3

SMILES: CC(C)C[C@H](C#N)NC(=O)[C@H](CC(C)(C)C)NC(=O)OCc1ccccc1

BIRTHDAY: 2018-11-19T08:16:52.451438
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:C26H30N6O5S2

SMILES: COc1cccc(C[C@@H](C#N)NC(=O)[C@H](C)N2CC(=O)COCCNC[C@H]3CSC(=N3)c3csc(n3)C2=O)c1

BIRTHDAY: 2018-11-19T08:16:52.475475
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:C25H27F3N4O2

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)cc1)C(=O)NC1(C#N)CC1

BIRTHDAY: 2018-11-19T08:16:52.485675
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:C30H49N5O5

SMILES: CC(C)=NN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1

BIRTHDAY: 2018-11-19T08:16:52.497546
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H29FN4O4

SMILES: CNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C(N)=O

BIRTHDAY: 2018-11-19T08:16:52.508581
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H29F3N6O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(N)=O)C(=O)N[C@@H](C(=O)C(F)(F)F)C(C)(C)NC(=N)N

BIRTHDAY: 2018-11-19T08:16:52.529021
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C29H32F3N5O3

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CCc2cn(nn2)CC=CCOc2cccc(c2)C1

BIRTHDAY: 2018-11-19T08:16:52.541944
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:C22H23N3O6S

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1C(=O)N2CCS(=O)(=O)[C@@H]12)OCc1ccccc1

BIRTHDAY: 2018-11-19T08:16:52.561213
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C18H20N2O2

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

BIRTHDAY: 2018-11-19T08:16:52.569033
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C18H21F3N2O4

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CC(=O)CO1

BIRTHDAY: 2018-11-19T08:16:52.578467
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C21H17ClF3N5O2

SMILES: COC(=O)Nc1c2ccc(Cl)c1Nc1ccnc(n1)Nc1cccc(c1)C[C@H]2C(F)(F)F

BIRTHDAY: 2018-11-19T08:16:52.589932
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C18H21F3N2O4

SMILES: CC(C)C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CC(=O)CO1

BIRTHDAY: 2018-11-19T08:16:52.607553
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C18H21F3N2O4

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)N[C@@H]1CCC(=O)O1

BIRTHDAY: 2018-11-19T08:16:52.616944
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C27H35F3N4O3

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cccc(NCc2cccc(C(F)(F)F)c2)c1)C(N)=O

BIRTHDAY: 2018-11-19T08:16:52.628006
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C23H23F3N4O3

SMILES: CC(C)C[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1)C(=O)NCC#N

BIRTHDAY: 2018-11-19T08:16:52.638289
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C22H24N4O6S

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1N[C@@]2(NCCS2(=O)=O)C1=O)OCc1ccccc1

BIRTHDAY: 2018-11-19T08:16:52.658025
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H29F3N6O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(N)=O)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)(C)NC(=N)N

BIRTHDAY: 2018-11-19T08:16:52.670245
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C22H33N

SMILES: CC(C)(C)CC1=C(c2ccc(C(C)(C)C)cc2)C2CCN1CC2

BIRTHDAY: 2018-11-19T08:16:52.676962
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C18H21F3N2O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CC(=O)CO1

BIRTHDAY: 2018-11-19T08:16:52.686250
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C22H23N3O6S

SMILES: O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N2CCS(=O)(=O)[C@H]12)OCc1ccccc1

BIRTHDAY: 2018-11-19T08:16:52.714821
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C29H38N2O4S

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)OCc1ccccc1)[C@@H]1CSc2ccccc2C1=O

BIRTHDAY: 2018-11-19T08:16:52.725650
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C28H36N4O3

SMILES: CC(=O)N[C@@H](Cc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)N[C@@H](C(=O)NCC#N)C(C)C

BIRTHDAY: 2018-11-19T08:16:52.735463
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C23H22N4O3S

SMILES: CC(C)(CNC(=O)c1ccccc1-c1ccncc1)NS(=O)(=O)c1ccccc1C#N

BIRTHDAY: 2018-11-19T08:16:52.745279
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H25F3N4O3S

SMILES: CC(C)C[C@@H](Nc1csc(C(F)(F)F)c1C(=O)N1CCOCC1)C(=O)NC1(C#N)CC1

BIRTHDAY: 2018-11-19T08:16:52.756510
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C22H30N3O5P

SMILES: COc1cccc(C[C@H](NC(=O)C2(CC(C)C)COPOC2)C(=O)NC2(C#N)CC2)c1

BIRTHDAY: 2018-11-19T08:16:52.766807
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C21H25N3O2

SMILES: COc1ccccc1C[C@H](C#N)NC(=O)[C@@H](C)Nc1cccc(C)c1C

BIRTHDAY: 2018-11-19T08:16:52.783557
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C25H39N3

SMILES: CC(C)C[C@@H](N[C@@H]1Cc2ccccc2CCCCCc2nccn2C1)C(C)C

BIRTHDAY: 2018-11-19T08:16:52.791648
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C27H27N3O3

SMILES: COc1cccc(C[C@H](C#N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(C)c2)c1

BIRTHDAY: 2018-11-19T08:16:52.802010
ATC: G03D
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- PROGESTOGENS
Synthesis Plan
FORMULA:C27H40N4O7

SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)C(=O)NCC(=O)N1CCOCC1

BIRTHDAY: 2018-11-19T08:16:52.814249
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C20H30N2O4

SMILES: CC(C)C[C@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1

BIRTHDAY: 2018-11-19T08:16:52.842996
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H20F3N3O2

SMILES: COc1ccccc1C[C@H](C#N)NC(=O)[C@@H](C)Nc1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:16:52.852888
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C29H29FN4O3

SMILES: N#C[C@H](CCCCNC(=O)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1

BIRTHDAY: 2018-11-19T08:16:52.863937
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C19H16N4O2

SMILES: N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C#N

BIRTHDAY: 2018-11-19T08:16:52.882587
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C27H35F3N4O3

SMILES: CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1cccc(NCc2cccc(C(F)(F)F)c2)c1)C(N)=O

BIRTHDAY: 2018-11-19T08:16:52.893619
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C18H21F3N2O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)N[C@H]1CC(=O)CO1

BIRTHDAY: 2018-11-30T17:22:45.486884
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C18H21F3N4O2

SMILES: CN(C)CC[C@@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)NC1(C#N)CC1

BIRTHDAY: 2018-11-30T17:22:45.496667
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C25H31N5O

SMILES: CC(C)[C@](C)(C#N)C[C@@]1(C#N)[C@H](NC(=O)[C@@H](C#N)c2ccccc2)CC2CCN1CC2

BIRTHDAY: 2018-11-30T17:22:45.545219
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C29H27F3N4O3

SMILES: CC(C)(NC(=O)c1ccccc1)[C@H](C#N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-30T17:22:45.574533
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C28H32F3N5O5S

SMILES: CC(C)C[C@@H](NC(=O)c1cccc2c1NNC(=O)S2)C(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)N1CCOCC1

BIRTHDAY: 2018-11-30T17:22:45.588482
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C23H23F3N4O3

SMILES: CC(C)C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)NCC#N

BIRTHDAY: 2018-11-30T17:22:45.598873
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C19H20ClN3O2

SMILES: COc1ccccc1C[C@@H](C#N)NC(=O)[C@@H](C)Nc1ccccc1Cl

BIRTHDAY: 2018-11-30T17:22:45.615966
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C26H38N4O7

SMILES: CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)C(=O)NCC(=O)N1CCOCC1)C(C)C

BIRTHDAY: 2018-11-30T17:22:45.627966
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H27F3N2O5

SMILES: CC(C)C[C@@H](NC(=O)C(C)(C)Oc1ccccc1C(F)(F)F)C(=O)N[C@H]1CC(=O)CO1

BIRTHDAY: 2018-11-30T17:22:45.654208
ATC: A14A
- ALIMENTARY TRACT AND METABOLISM
- ANABOLIC AGENTS FOR SYSTEMIC USE
- ANABOLIC STEROIDS
Synthesis Plan
FORMULA:C18H21F3N2O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)N[C@H]1COC(=O)C1

BIRTHDAY: 2018-11-30T17:22:45.663483
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C16H19FN4O

SMILES: CC(C)C[C@@H](C#N)NC(=O)[C@]1(c2ccccc2F)CCN=N1

BIRTHDAY: 2018-12-02T16:05:54.007712
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C24H22F3N5O3S

SMILES: C[C@@H](C1=CNNC(=O)S1)[C@H](C#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C(F)(F)F

BIRTHDAY: 2018-12-02T16:05:54.019928
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C22H24N4O2S4

SMILES: CC(C)[C@@H]1NC(=O)CCC(=O)N[C@H](C2=CSSS2)CSc2cc(ncn2)-c2cccc1c2

BIRTHDAY: 2018-12-02T16:05:54.064099
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C27H26N4O3

SMILES: N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)NCCc2ccccc2)cc1

BIRTHDAY: 2018-12-02T16:05:54.100687
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C24H22ClN3O4

SMILES: COc1ccc(C(=O)N[C@H](Cc2ccc(NC(=O)c3ccccc3Cl)cc2)C(N)=O)cc1

BIRTHDAY: 2018-12-02T16:05:54.119998
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C24H27N5O3

SMILES: CC(C)C[C@H](NC(=O)c1ccc([C@]23C=CC=CC2=NCCNC3=O)cc1)C(=O)NCC#N

BIRTHDAY: 2018-12-03T10:42:15.756548
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H28N4O4

SMILES: COc1ccc(C[C@@H](C#N)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2C)cc1

BIRTHDAY: 2018-12-03T10:42:15.775320
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C19H16F3N3O2

SMILES: N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-12-03T10:42:15.803482
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C20H39N3O

SMILES: CC(C)C[C@@H](N[C@@]1(C(C)C)[C@H]2CCCN1CCN2)C(=O)C(C)(C)C

BIRTHDAY: 2018-12-03T10:42:15.811322
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C18H21F3N2O4

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1COCC1=O

BIRTHDAY: 2018-12-03T10:42:15.865855
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C23H23F3N4O3

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)NCC#N

BIRTHDAY: 2018-12-03T10:42:15.876599
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C22H35N5O3

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

BIRTHDAY: 2018-12-03T10:42:15.885854
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H25N3O2

SMILES: COc1ccccc1C[C@@H](C#N)NC(=O)[C@@H](C)Nc1cccc(C)c1C

BIRTHDAY: 2018-12-03T10:42:15.894298
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C64H55F2N7O2

SMILES: COc1ccc(-c2ccccc2Cc2ccccc2OCc2cc(-c3ccccc3)n(-c3ccccc3C(F)(F)Cc3ccccc3)n2)c2c3nc(nc12)Nc1cccc(c1)CNCC=CCNCc1cccc-3c1

BIRTHDAY: 2018-12-03T10:42:15.927784
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H28FNO

SMILES: O=C1CCCCCNC[C@@]2(c3cccc(F)c3)C=CC=C[C@H]2CCC1

BIRTHDAY: 2018-12-03T19:10:41.359813
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis plan pending
FORMULA:C24H42N6O4

SMILES: C[C@@H](CC(C)(C)C[C@@H](N)C(=O)NCC#N)NC(=O)[C@H]1C=COCCOCCN2CCC(CC2)N1

BIRTHDAY: 2018-12-03T19:10:41.381698
ATC: N07A
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- PARASYMPATHOMIMETICS
Synthesis plan pending
FORMULA:C20H23N3O2

SMILES: COc1ccc(C[C@H](C#N)NC(=O)[C@H](C)Nc2ccc(C)cc2)cc1

BIRTHDAY: 2018-12-03T19:10:41.390014
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C24H29N3O3

SMILES: COc1cccc(C[C@H](C#N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)C)c1

BIRTHDAY: 2018-12-03T19:10:41.421055
ATC: J01G
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- AMINOGLYCOSIDE ANTIBACTERIALS
Synthesis plan pending
FORMULA:C20H20F3N3O2

SMILES: COc1ccc(C[C@@H](C#N)NC(=O)[C@H](C)Nc2ccccc2C(F)(F)F)cc1

BIRTHDAY: 2018-12-03T19:10:41.431055
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:C22H23N3O3S

SMILES: CC(C)(CNC(=O)c1cccc(-c2ccncc2)c1)NS(=O)(=O)c1ccccc1

BIRTHDAY: 2018-12-03T19:10:41.450082
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis plan pending
FORMULA:C24H28N4O4

SMILES: COc1ccccc1C[C@H](C#N)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(C)c1

BIRTHDAY: 2018-12-03T19:10:41.485706
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C27H26N4O3

SMILES: N#CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)NCCc2ccccc2)cc1

BIRTHDAY: 2018-12-03T19:10:41.495910
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H33N7O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C1=CCN1

BIRTHDAY: 2018-12-03T19:10:41.524720
ATC: G03G
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- GONADOTROPINS AND OTHER OVULATION STIMULANTS
Synthesis Plan
FORMULA:C25H27F3N4O2

SMILES: CC(C)C[C@H](NC(=O)c1cccc(NCc2ccccc2C(F)(F)F)c1)C(=O)NC1(C#N)CC1

BIRTHDAY: 2018-12-01T22:29:45.783138
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H23F3N4O3

SMILES: CC(C)C[C@H](NC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)NCC#N

BIRTHDAY: 2018-12-01T22:29:45.793623
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C32H34F3N4O4P

SMILES: C[C@H]1CPOC([C@H](CCCNC(=O)c2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(C(F)(F)F)cc2)=N1

BIRTHDAY: 2018-12-01T22:29:45.825092
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C23H26N4O4

SMILES: COc1ccc(C[C@@H](NC(=O)[C@H](C)NC(=O)c2ccccc2C)C(=O)NCC#N)cc1

BIRTHDAY: 2018-12-01T22:29:45.843333
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C21H18N4O5S

SMILES: O=C1N[C@H]2NC(=O)[C@@]2(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)C(=O)S1

BIRTHDAY: 2018-12-01T22:29:45.882429
ATC: R05C
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis Plan
FORMULA:C23H19F3N4O4S

SMILES: O=C1S[C@@]2(NC=C1C(F)(F)F)N[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C2=O

BIRTHDAY: 2018-12-01T22:29:45.912187
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C32H47N13O5S

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)[C@@H]1NCCCOCCNCCn2nnc(n2)-c2csc1n2

BIRTHDAY: 2018-12-01T22:29:45.929896
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan