matter.farm

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

These compounds may interact with:

Integrin beta-1

Potentially involved in: mental depression; carcinoma; schizophrenia; cancer; multiple endocrine neoplasia type 2a; vascular disease; arthritis; hypersensitivity reaction type ii disease; calcinosis; non-small cell lung carcinoma; squamous cell carcinoma; cardiomyopathy, dilated; endometriosis; gliosis; heart failure; liver cirrhosis, experimental; neoplasm invasiveness; neoplasm metastasis; cardiomyopathies; astrocytoma, pilocytic

Disease data sourced from Pharos.

Antagonist

FORMULA:C23H33N5O7

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

BIRTHDAY: 2018-12-01T14:10:33.014862
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C17H29N3O6

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

BIRTHDAY: 2018-12-01T14:10:33.024316
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C15H18N4O6

SMILES: COc1ccc(C[C@H](NC(=O)[C@H](C(=O)O)N2CN=CN2)C(=O)O)cc1

BIRTHDAY: 2018-12-01T14:10:33.034235
ATC: A07X
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- OTHER ANTIDIARRHEALS
Synthesis Plan
FORMULA:C25H32N2O5

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

BIRTHDAY: 2018-12-01T14:10:33.043960
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C31H50N4O7

SMILES: COc1ccccc1C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)C(=O)NCC(C)(C)C)C(=O)O

BIRTHDAY: 2018-12-01T14:10:33.057660
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C19H28N4O4

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

BIRTHDAY: 2018-12-01T14:10:33.066559
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C29H28N2O6

SMILES: CC(C)Cc1ccc(-c2ccc(C[C@H](NC(=O)c3c(NCc4ccco4)c(=O)c3=O)C(=O)O)cc2)cc1

BIRTHDAY: 2018-12-01T14:10:33.077400
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C29H36N4O4

SMILES: COc1cccc(-c2ccccc2C[C@H](N[C@H]2COCCNc3cccc(c3)NCCCN2)C(=O)O)c1

BIRTHDAY: 2018-12-01T14:10:33.088374
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H35N3O6

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

BIRTHDAY: 2018-12-01T14:10:33.098455
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C17H29N3O6

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

BIRTHDAY: 2018-12-01T14:10:33.107893
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C17H29N3O6

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

BIRTHDAY: 2018-12-01T14:10:33.117357
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C25H30N4O6

SMILES: CN(C)C(=O)[C@@H](Cc1ccc(C(N)=O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCc1ccccc1

BIRTHDAY: 2018-12-01T14:10:33.129314
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C22H25NO5

SMILES: COc1cccc(-c2ccccc2C[C@H](NC(=O)[C@]2(C)CCOC2)C(=O)O)c1

BIRTHDAY: 2018-12-01T14:10:33.138029
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C27H45NO11

SMILES: CO[C@H]1OCCOCCOCCO[C@H]1C(=O)N[C@@]1(C(C)C)CCOC(=O)C[C@@H]2CCC[C@@]3(C[C@H](CCO3)O1)O2

BIRTHDAY: 2018-12-01T14:10:33.150490
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C23H34N6O6

SMILES: CC(C)C[C@H](NC(=O)[C@H](NC(=O)C(=O)NCc1ccccc1C(=N)N)C(C)C)C(=O)NCC(=O)O

BIRTHDAY: 2018-12-01T14:10:33.161838
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C21H31N5O5

SMILES: CCC[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C(=N)N)cc1)C(C)(C)C)C(=O)NCC(=O)O

BIRTHDAY: 2018-12-01T14:10:33.171907
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C22H29N5O4

SMILES: COc1ccccc1C[C@H](NC(=O)[C@]1(N)CCCCN1c1c(C)ncnc1C)C(=O)O

BIRTHDAY: 2018-12-01T14:10:33.182389
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H18F2N2O3S

SMILES: CN(C(=O)[C@H](CC(=O)O)c1ccccc1F)[C@@H]1C=CSC(c2ccc(F)cc2)=N1

BIRTHDAY: 2018-12-01T14:10:33.192178
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C17H29N3O6

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

BIRTHDAY: 2018-12-25T02:02:35.668592
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C23H31N3O9

SMILES: CC(C)C[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCc1ccccc1)C(=O)O

BIRTHDAY: 2018-12-25T02:02:35.680210
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C25H32N2O5

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

BIRTHDAY: 2018-12-25T02:02:35.689910
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C23H35N3O6

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

BIRTHDAY: 2018-12-25T02:02:35.699884
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C26H33N3O5

SMILES: CC(C)C[C@H](NC(=O)[C@H](NC(=O)C(=O)NCc1ccc(-c2ccccc2)cc1)C(C)C)C(=O)O

BIRTHDAY: 2018-12-25T02:02:35.711395
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C18H22Cl2N2O4

SMILES: CN(C)C(=O)C1(C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)CCCC1

BIRTHDAY: 2018-12-25T02:02:35.721023
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H25NO4

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

BIRTHDAY: 2018-12-25T02:02:35.729165
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C26H44ClNO2

SMILES: CCCCCCCCCCCCCCCCC[C@@H](NCc1ccc(Cl)cc1)C(=O)O

BIRTHDAY: 2018-12-25T02:02:35.736806
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H30N4O6

SMILES: C[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1C(N)=O)C(=O)N(C)C)c1ccccc1

BIRTHDAY: 2018-12-25T02:02:35.748954
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C22H25NO5

SMILES: COc1cccc(-c2ccccc2C[C@@H](NC(=O)[C@@]2(C)CCOC2)C(=O)O)c1

BIRTHDAY: 2018-12-25T02:02:35.757600
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C22H29N3O10

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

BIRTHDAY: 2018-12-25T02:02:35.769291
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C21H25NO4

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

BIRTHDAY: 2018-12-25T02:02:35.777327
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C23H35N3O6

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

BIRTHDAY: 2018-12-25T02:02:35.787481
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C25H26N4O4

SMILES: CC(C)c1ccccc1-c1ccccc1C[C@H](NC(=O)[C@]1(N2CN=CN2)C=CC1=O)C(=O)O

BIRTHDAY: 2018-12-25T02:02:35.797763
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C23H35N3O6

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

BIRTHDAY: 2018-12-25T02:02:35.808455
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C21H31N5O5

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

BIRTHDAY: 2018-12-25T02:02:35.819088
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C21H29N3O8

SMILES: CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

BIRTHDAY: 2018-12-03T02:38:39.558965
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C26H22F2N2O4

SMILES: COc1ccc(-c2ccccc2C[C@@H](C(=O)O)N2CN=CC(=O)[C@@H]2c2cccc(F)c2F)cc1

BIRTHDAY: 2018-12-03T02:38:39.571061
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H33N5O7

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

BIRTHDAY: 2018-12-03T02:38:39.583003
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H33N3O5

SMILES: CC(C)C[C@@H](NC(=O)[C@H](NC(=O)C(=O)NCc1ccc(-c2ccccc2)cc1)C(C)C)C(=O)O

BIRTHDAY: 2018-12-03T02:38:39.604195
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C24H28N2O7

SMILES: COc1ccccc1-c1ccc(C[C@@H](NC(=O)[C@@]2(C(=O)NCCO)CCCO2)C(=O)O)cc1

BIRTHDAY: 2018-12-03T02:38:39.625543
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C22H25NO5

SMILES: COc1ccccc1-c1ccc(C[C@@H](NC(=O)[C@@]2(C)CCOC2)C(=O)O)cc1

BIRTHDAY: 2018-12-03T02:38:39.643857
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C20H22N4O3

SMILES: COc1ccccc1C[C@H](C#N)NC(=O)C1=C(C#N)[C@@H](N)C[C@H]2CC[C@H]1O2

BIRTHDAY: 2018-12-03T02:38:39.661721
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C21H29N3O3

SMILES: CC1=NN=C(C(=O)NCc2cc(C)cc(C)c2)C[C@@H](CC(C)C)[C@H]1C(=O)O

BIRTHDAY: 2018-12-03T02:38:39.670239
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C20H26N2O5

SMILES: COc1cccc(C(=O)N[C@@H](C(=O)O)[C@]2(C)CO[C@@H]3C[C@@H]4CCN3[C@H]2C4)c1

BIRTHDAY: 2018-12-03T02:38:39.679604
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C26H28N2O9

SMILES: COc1cccc(-c2ccccc2C[C@H](NC(=O)[C@]2(C(=O)N[C@@]3(O)OCCC3=O)CCOC2)C(=O)O)c1

BIRTHDAY: 2018-12-03T02:38:39.691287
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H25NO4

SMILES: COc1ccccc1-c1ccc(C[C@@H](NC(=O)C(C)(C)C)C(=O)O)cc1

BIRTHDAY: 2018-12-03T02:38:39.699452
ATC: A12A
- ALIMENTARY TRACT AND METABOLISM
- MINERAL SUPPLEMENTS
- CALCIUM
Synthesis Plan
FORMULA:C20H29N5O5

SMILES: CCC[C@H](NC(=O)[C@H](NC(=O)c1ccc(C(=N)N)cc1)C(C)C)C(=O)NCC(=O)O

BIRTHDAY: 2018-12-03T02:38:39.709444
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C35H38N6O6

SMILES: COc1ccc(C[C@@H](NC(=O)C2=CCN([C@@H]3CCNC3)Cc3cccc(c3)Nc3nccc(n3)-c3ccc(o3)COC2)C(=O)O)cc1

BIRTHDAY: 2018-12-03T02:38:39.723530
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H33N3O5

SMILES: CC(C)C[C@H](NC(=O)[C@H](NC(=O)C(=O)NCc1ccccc1-c1ccccc1)C(C)C)C(=O)O

BIRTHDAY: 2018-11-30T03:40:35.896420
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C22H33N3O6

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

BIRTHDAY: 2018-11-30T03:40:35.906289
ATC: R02A
- RESPIRATORY SYSTEM
- THROAT PREPARATIONS
- THROAT PREPARATIONS
Synthesis Plan
FORMULA:C24H30N2O5

SMILES: COc1ccccc1C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C)c1ccccc1)C(C)C)C(=O)O

BIRTHDAY: 2018-11-30T03:40:35.925931
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C31H35NO4

SMILES: CC1(C(=O)N[C@H](Cc2ccccc2OC(C)(c2ccccc2)c2ccccc2)C(=O)O)CCCCC1

BIRTHDAY: 2018-11-30T03:40:35.936580
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis Plan
FORMULA:C33H52N6O4

SMILES: COc1ccc(C[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)C)C(C)(C)C)C(=O)NCc2[nH]c3nc2CCNCCCCCC3)cc1

BIRTHDAY: 2018-11-30T03:40:35.949078
ATC: B02B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIHEMORRHAGICS
- VITAMIN K AND OTHER HEMOSTATICS
Synthesis Plan
FORMULA:C27H30N2O8

SMILES: COc1ccc(-c2ccccc2C[C@@H](NC(=O)C2(C(=O)N[C@]3(O)OCCC3=O)CCCC2)C(=O)O)cc1

BIRTHDAY: 2018-11-30T03:40:35.960601
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C24H29NO5

SMILES: COc1cccc(-c2ccccc2C[C@@H](NC(=O)[C@]2(C(C)C)CCOC2)C(=O)O)c1

BIRTHDAY: 2018-11-30T03:40:35.969612
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis Plan
FORMULA:C37H39N5O3

SMILES: Cc1cccc(C)c1C(=O)N1CC=CCCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)[C@H]1C1(C(=O)N(C)C)CC1

BIRTHDAY: 2018-11-30T03:40:35.984813
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C22H25NO5

SMILES: COc1ccc(-c2ccccc2C[C@@H](NC(=O)[C@]2(C)CCCO2)C(=O)O)cc1

BIRTHDAY: 2018-11-30T03:40:36.013828
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C38H61N3O5

SMILES: COc1ccccc1C[C@H](NC(=O)C1(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)CCCCC1)[C@@]1(O)CCC[C@@H]2CCC[C@@H](C2)C1

BIRTHDAY: 2018-11-30T03:40:36.029162
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C30H38ClN3O6

SMILES: COc1ccc(C[C@H](NC(=O)C2(NC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3Cl)CCCCC2)C(=O)O)cc1

BIRTHDAY: 2018-11-30T03:40:36.053729
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C25H30N4O6

SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1C(N)=O)C(=O)N(C)C)c1ccccc1

BIRTHDAY: 2018-11-19T08:15:13.450691
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C29H37ClN4O7

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

BIRTHDAY: 2018-11-19T08:15:13.464251
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C24H28N2O7

SMILES: COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@]2(C(=O)NCCO)CCCO2)C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:15:13.484876
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C23H35N3O6

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

BIRTHDAY: 2018-11-19T08:15:13.494795
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C22H25NO5

SMILES: COc1ccccc1-c1ccc(C[C@@H](NC(=O)[C@]2(C)CCCO2)C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:15:13.503607
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H30N6O8

SMILES: CC(C)C[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1nnc(Cc2ccccc2)o1

BIRTHDAY: 2018-11-19T08:15:13.516515
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C28H37N5O9

SMILES: CC(C)C[C@@H](NC(=O)[C@H](NC(=O)c1ccc(C(=N)N)cc1)C(=O)N[C@H](CC(=O)O)[C@]1(O)O[C@@H]2C[C@@H]3C[C@H]1[C@H]2C3)C(=O)O

BIRTHDAY: 2018-11-19T08:15:13.539908
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C28H26N2O6

SMILES: CC(C)c1ccc(-c2ccc(C[C@H](NC(=O)c3c(NCc4ccco4)c(=O)c3=O)C(=O)O)cc2)cc1

BIRTHDAY: 2018-11-19T08:15:13.550586
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C32H43N5O7

SMILES: CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](N)[C@]1(C)CNCc2cccc(c2)CNC(=O)C(=O)Oc2cccc1c2)C(C)C)C(=O)O

BIRTHDAY: 2018-11-19T08:15:13.564597
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C23H35N3O6

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

BIRTHDAY: 2018-11-19T08:15:13.574699
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C26H44ClNO2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C[C@@H](NCc1cccc(Cl)c1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:13.582406
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C23H33N5O7

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

BIRTHDAY: 2018-11-19T08:15:13.593809
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C30H38ClN3O6

SMILES: COc1ccccc1C[C@@H](NC(=O)C1(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CCCCC1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:13.606859
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C28H29N3O5

SMILES: COc1ccc(C[C@H](C(N)=O)N2CCc3cccc(c3)OCCNC(=O)c3cccc(c3)C2=O)cc1

BIRTHDAY: 2018-11-19T08:15:13.627673
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H35N3O6

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

BIRTHDAY: 2018-11-19T08:15:13.637577
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C25H42ClNO2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@H](NCc1cccc(Cl)c1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:13.645335
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C39H48N2O5

SMILES: COc1ccc(C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C2=CCCCCCCCCCCC2)c2ccccc2)c2ccccc2)C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:15:13.657375
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C16H24N4O4

SMILES: CC(C)C[C@@H](NC(=O)[C@@H](N)Cc1ccc(C(=N)NO)cc1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:13.665697
ATC: D05B
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C27H34N2O6

SMILES: COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)[C@]2(C(C)C)CCCO2)C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:15:13.676253
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C22H33N3O6

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

BIRTHDAY: 2018-11-19T08:15:13.694688
ATC: R02A
- RESPIRATORY SYSTEM
- THROAT PREPARATIONS
- THROAT PREPARATIONS
Synthesis Plan
FORMULA:C26H44ClNO2

SMILES: CCCCCCCCCCCCCCCCC[C@H](NCc1ccc(Cl)cc1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:13.702721
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C27H40N4O9

SMILES: CNC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1O)C(=O)O

BIRTHDAY: 2018-11-19T08:15:13.716386
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C28H30N6O5

SMILES: COc1ccccc1C[C@H](C#N)NC(=O)[C@H]1CCCOc2cncc(n2)NC(=O)N[C@@H](c2ccccc2)CO1

BIRTHDAY: 2018-11-19T08:15:13.751101
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C12H21N3O6S

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

BIRTHDAY: 2018-11-19T08:15:13.763572
ATC: C04A
- CARDIOVASCULAR SYSTEM
- PERIPHERAL VASODILATORS
- PERIPHERAL VASODILATORS
Synthesis Plan
FORMULA:C28H43N3O6

SMILES: COc1ccc(C[C@@H](NC(=O)C2(NC(=O)[C@@H](CC(C)C)NC(=O)C(C)(C)C)CCCCC2)C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:15:13.780432
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:C24H18O7

SMILES: O=C(O)COc1cccc2c1OC(=O)C(c1ccccc1OCc1ccccc1)=CO2

BIRTHDAY: 2018-11-19T08:15:13.793718
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C23H34N6O6

SMILES: CC(C)C[C@H](NC(=O)[C@H](NC(=O)C(=O)NCc1ccc(C(=N)N)cc1)C(C)C)C(=O)NCC(=O)O

BIRTHDAY: 2018-11-19T08:15:13.809373
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C25H30N4O6

SMILES: CN(C)C(=O)[C@H](Cc1cccc(C(N)=O)c1)NC(=O)[C@H](CC(=O)O)NC(=O)CCc1ccccc1

BIRTHDAY: 2018-11-19T08:15:13.826000
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C25H26N2O8

SMILES: COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(C(=O)N[C@@H]3CC(=O)O[C@@H]3O)CC2)C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:15:13.839723
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C23H35N3O6

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

BIRTHDAY: 2018-11-19T08:15:13.863564
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C21H31N5O5

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

BIRTHDAY: 2018-11-19T08:15:13.874162
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C28H38N6O8

SMILES: CN(C)C(=O)[C@H](Cc1ccc(C(=N)N)cc1)NC(=O)[C@@H](CC(=O)O)NC[C@@H]1C[C@H]2O[C@@H]3CN[C@@]14OC(=O)OCC[C@H]2[C@H]34

BIRTHDAY: 2018-11-19T08:15:13.888387
ATC: G03C
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ESTROGENS
Synthesis Plan
FORMULA:C22H25NO5

SMILES: COc1cccc(-c2ccccc2C[C@H](NC(=O)[C@@]2(C)CCCO2)C(=O)O)c1

BIRTHDAY: 2018-11-19T08:15:13.897489
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H20N2O4

SMILES: CC(C)C[C@H]1OC(=O)N[C@H]2O[C@@H]1[C@@H](Cc1ccc(C#N)cc1)C2=O

BIRTHDAY: 2018-11-19T08:15:13.905756
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C25H37N3O4S

SMILES: COc1ccc(C[C@H](NC(=O)[C@H](NC(=O)C(C)(C)C)C(C)(C)C)C(=O)N2CC=CCS2)cc1

BIRTHDAY: 2018-11-19T08:15:13.915989
ATC: A12C
- ALIMENTARY TRACT AND METABOLISM
- MINERAL SUPPLEMENTS
- OTHER MINERAL SUPPLEMENTS
Synthesis Plan
FORMULA:C26H40N4O8

SMILES: COc1ccc(C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)C(C)(C)C(=O)NO)C(C)C)C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:15:13.928712
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C21H31N5O5

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

BIRTHDAY: 2018-11-19T08:15:13.940795
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C22H33N3O6

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

BIRTHDAY: 2018-11-19T08:15:13.958749
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C20H30N4O4

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

BIRTHDAY: 2018-11-19T08:15:13.967692
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C26H44ClNO2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C[C@H](NCc1ccccc1Cl)C(=O)O

BIRTHDAY: 2018-11-19T08:15:13.975485
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C24H28N2O7

SMILES: COc1cccc(-c2ccccc2C[C@@H](NC(=O)[C@]2(C(=O)N[C@@H](C)O)CCOC2)C(=O)O)c1

BIRTHDAY: 2018-11-19T08:15:13.985799
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C31H43N3O6

SMILES: COc1ccccc1C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)c1ccccc1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:13.997860
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C24H30N2O5

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

BIRTHDAY: 2018-11-19T08:15:14.007973
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C48H53ClN6O7S

SMILES: COc1ccccc1C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1Cl)c1c2cccc1-c1cc(ncn1)Sc1cccc(c1)OCCCCO2

BIRTHDAY: 2018-11-19T08:15:14.027943
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C28H43N3O6

SMILES: COc1ccccc1C[C@H](NC(=O)C1(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)CCCCC1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:14.056269
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C24H28N2O7

SMILES: COc1cccc(-c2ccccc2C[C@@H](NC(=O)[C@@]2(C(=O)NCCO)CCOC2)C(=O)O)c1

BIRTHDAY: 2018-11-19T08:15:14.066603
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C21H23N3O2S

SMILES: CC(C)Cc1n[nH]c(=S)n1[C@H](C)c1ccccc1-c1cccc(C(=O)O)c1

BIRTHDAY: 2018-11-19T08:15:14.075605
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H26N2O8

SMILES: COc1cccc(-c2ccccc2C[C@@H](NC(=O)C2(C(=O)N[C@]3(O)OCCC3=O)CC2)C(=O)O)c1

BIRTHDAY: 2018-11-19T08:15:14.098823
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C19H29N5O5

SMILES: CC(C)C[C@H](NC(=O)[C@H](NC(=O)C(=O)N1C=CN=NC1)C1CCCCC1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:14.108822
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C33H45N3O6

SMILES: COc1ccc(C[C@H](NC(=O)C2(NC(=O)[C@@H](CC(C)C)NC(=O)C(C)(C)c3ccccc3)CCCCC2)C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:15:14.121850
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C21H31N5O5

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

BIRTHDAY: 2018-11-19T08:15:14.141247
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C30H45FN6O3

SMILES: CC(C)C[C@@H](NC(=O)[C@H](NC1(Cc2ccccc2)CNCCNCCNCCNC1)c1cccc(F)c1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:14.154856
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C23H34N6O6

SMILES: CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)C(=O)NCc1ccccc1C(=N)N)C(C)C)C(=O)NCC(=O)O

BIRTHDAY: 2018-11-19T08:15:14.166069
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C21H31N5O5

SMILES: CC(C)C[C@H](NC(=O)[C@H](NC(=O)C(=O)NCc1ccccc1C(=N)N)C(C)C)C(=O)O

BIRTHDAY: 2018-11-19T08:15:14.185414
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C27H46N2O6

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

BIRTHDAY: 2018-11-19T08:15:14.195450
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C21H31N5O5

SMILES: CC(C)C[C@H](NC(=O)[C@H](NC(=O)C(=O)NCc1ccc(C(=N)N)cc1)C(C)C)C(=O)O

BIRTHDAY: 2018-11-19T08:15:14.205418
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C30H38ClN3O6

SMILES: COc1ccccc1C[C@@H](NC(=O)C1(NC(=O)[C@@H](CC(C)C)NC(=O)c2cccc(Cl)c2)CCCCC1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:14.218525
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C20H30N4O4

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

BIRTHDAY: 2018-11-30T17:22:57.571576
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C29H37ClN4O7

SMILES: COc1ccc(C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)C(=O)O)cc1

BIRTHDAY: 2018-11-30T17:22:57.584975
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C22H29NO5S

SMILES: COc1cccc([C@@]2(C)COC([C@H](C)C(=O)NC3(C(=O)O)CCCCC3)=CS2)c1

BIRTHDAY: 2018-11-30T17:22:57.594249
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C44H48N6O4

SMILES: COc1ccc(-c2cccc(C[C@H](NC(=O)C3(C(=O)N[C@@H]4Cn5cc(nn5)CC=CCOc5cccc(c5)CN4)CCCCC3)c3ccccc3)c2)cc1

BIRTHDAY: 2018-11-30T17:22:57.611813
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C18H25N5O6

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

BIRTHDAY: 2018-11-30T17:22:57.632513
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis Plan
FORMULA:C21H31N5O5

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

BIRTHDAY: 2018-11-30T17:22:57.642618
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C21H22N2O2

SMILES: [CH2+][C@H]1C(C)N=[N+](c2cccc(C([CH2-])=O)c2)[C@]1([CH2-])c1ccccc1OC

BIRTHDAY: 2018-11-30T17:22:57.652447
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C26H25ClN4O9

SMILES: O=C1CC[C@@H](O)CC(=O)NC(C(=O)N[C@H](Cc2ccc(NC(=O)c3ccc(C(=O)O)cc3)cc2)C(=O)O)=C(Cl)N1

BIRTHDAY: 2018-11-30T17:22:57.665027
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C21H31N5O5

SMILES: CCC[C@@H](NC(=O)[C@H](NC(=O)c1ccc(C(=N)N)cc1)C(C)(C)C)C(=O)NCC(=O)O

BIRTHDAY: 2018-11-30T17:22:57.675022
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C22H25NO5

SMILES: COc1ccc(-c2ccccc2C[C@@H](NC(=O)[C@@]2(C)CCOC2)C(=O)O)cc1

BIRTHDAY: 2018-11-30T17:22:57.693215
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C38H44ClN5O3

SMILES: COc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3(C(=O)NC[C@@H]4C[C@H]5CC[C@H](CN5Cc5ccc(Cl)cc5)N4)CCCC3)cc2)cc1

BIRTHDAY: 2018-11-30T17:22:57.706634
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C39H48N2O5

SMILES: CC(C)c1ccccc1-c1ccccc1C[C@@]1(NC(=O)c2c(NCc3ccoc3)c(=O)c2=O)CCCCCCCCCCCCO1

BIRTHDAY: 2018-11-30T17:22:57.728954
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C24H30N2O5

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

BIRTHDAY: 2018-11-30T17:22:57.758126
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C30H38ClN3O6

SMILES: COc1ccccc1C[C@H](NC(=O)C1(NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(Cl)c2)CCCCC1)C(=O)O

BIRTHDAY: 2018-12-02T16:06:05.955228
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C22H32N4O4S2

SMILES: CC(C)C[C@@H](NC(=O)[C@H](NC(=O)c1ccccc1C(=N)N)[C@]1(C)CSCCCS1)C(=O)O

BIRTHDAY: 2018-12-02T16:06:05.979111
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C26H33ClN4O6

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

BIRTHDAY: 2018-12-02T16:06:05.990860
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C28H43N3O6

SMILES: COc1cccc(C[C@H](NC(=O)C2(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)CCCCC2)C(=O)O)c1

BIRTHDAY: 2018-12-02T16:06:06.002497
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:C43H73N7O7S

SMILES: CC(C)C[C@H](NC(=O)[C@H](N[C@@H]1CCSCC(=O)N[C@H](C(C)C)C1)C(C)(C)C)C(=O)N[C@H](CC(=O)O)C1=CC2=CN(CCOCCNCCOCCN3C=C1CC3)CC2

BIRTHDAY: 2018-12-02T16:06:06.033026
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C26H28N2O9

SMILES: COc1ccccc1-c1ccc(C[C@@H](NC(=O)[C@]2(C(=O)N[C@@H]3CC(=O)O[C@@H]3O)CCCO2)C(=O)O)cc1

BIRTHDAY: 2018-12-02T16:06:06.054861
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C26H33N3O5

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)C(=O)NCc1ccc(-c2ccccc2)cc1)C(C)C)C(=O)O

BIRTHDAY: 2018-12-02T16:06:06.078253
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C24H29NO5

SMILES: COc1ccc(-c2ccccc2C[C@@H](NC(=O)[C@]2(C(C)C)CCOC2)C(=O)O)cc1

BIRTHDAY: 2018-12-02T16:06:06.106889
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C20H30N4O4

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

BIRTHDAY: 2018-12-03T10:42:27.756192
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C24H20Cl2N2O5

SMILES: COc1cccc(C(=O)N[C@H](Cc2ccccc2NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)O)c1

BIRTHDAY: 2018-12-03T10:42:27.767328
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C35H38N8O6S

SMILES: COc1ccc(C[C@H](C#N)NC(=O)[C@H](NC(=O)[C@H](CC#N)C2=C3CNC(=O)C(=N3)c3cccc4c(=O)n(sc34)CCNCCO2)C(C)C)cc1

BIRTHDAY: 2018-12-03T10:42:27.782888
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H31NO3

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

BIRTHDAY: 2018-12-03T10:42:27.790915
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C25H30N2O7

SMILES: COc1cccc(-c2ccccc2C[C@@H](NC(=O)[C@@]2(C(=O)NC(C)(C)O)CCOC2)C(=O)O)c1

BIRTHDAY: 2018-12-03T10:42:27.801541
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C20H30N4O4

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

BIRTHDAY: 2018-12-03T10:42:27.855488
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C29H40N4O8

SMILES: CC(C)C[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)OCc1ccccc1)[C@H]1N[C@@H]2C[C@H]3CC[C@H]2[C@H]13

BIRTHDAY: 2018-12-03T10:42:27.869439
ATC: A14A
- ALIMENTARY TRACT AND METABOLISM
- ANABOLIC AGENTS FOR SYSTEMIC USE
- ANABOLIC STEROIDS
Synthesis Plan
FORMULA:C44H43N3O8

SMILES: O=CNC(=O)COc1cccc(CC(=O)NC(=O)[C@@H]2CCOc3cccc(c3)CNCCc3ccc(cc3)OC2)c1-c1cccc(OCc2ccccc2)c1

BIRTHDAY: 2018-12-03T10:42:27.895914
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C24H36N6O7

SMILES: Cc1ccc(C(=O)N[C@@H](C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)c(C)c1

BIRTHDAY: 2018-12-03T10:42:27.926836
ATC: V09X
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- OTHER DIAGNOSTIC RADIOPHARMACEUTICALS
Synthesis Plan
FORMULA:C33H46N6O7

SMILES: COc1ccccc1C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CNCC(=O)NCc2cccc(c2)N1)C(C)C)C(=O)O

BIRTHDAY: 2018-12-03T19:10:53.322002
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C20H24N2O10

SMILES: O=C(O)C[C@@H](NC(=O)[C@H]1C=COCCCCOc2cccc(c2)C(O)(O)C(=O)N1)C(=O)O

BIRTHDAY: 2018-12-03T19:10:53.333272
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C21H25NO4

SMILES: COc1cccc(-c2ccccc2C[C@H](NC(=O)C(C)(C)C)C(=O)O)c1

BIRTHDAY: 2018-12-03T19:10:53.341565
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C24H28N2O7

SMILES: COc1cccc(-c2ccccc2C[C@H](NC(=O)[C@]2(C(=O)N[C@@H](C)O)CCOC2)C(=O)O)c1

BIRTHDAY: 2018-12-03T19:10:53.374487
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C24H30N2O5

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

BIRTHDAY: 2018-12-03T19:10:53.384204
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C21H32N4O8

SMILES: CC(C)C[C@H](C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CO)C(N)=O)N1[C@H]2C=CC[C@@H]1[C@@H](C(=O)O)C2

BIRTHDAY: 2018-12-03T19:10:53.405731
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C25H36N2O7

SMILES: COc1ccc(C[C@H](NC(=O)[C@H](NC(=O)C(C)(C)C)[C@@]2(C)C[C@H]3OCC[C@@H](C2)O3)C(=O)O)cc1

BIRTHDAY: 2018-12-03T19:10:53.436996
ATC: D03A
- DERMATOLOGICALS
- PREPARATIONS FOR TREATMENT OF WOUNDS AND ULCERS
- CICATRIZANTS
Synthesis Plan
FORMULA:C25H26ClN3O5

SMILES: COc1ccccc1[C@@H]1C(C(=O)NCc2ccc(Cl)cc2)=CC=CNN1C(=O)C(C)(C)C(=O)O

BIRTHDAY: 2018-12-03T19:10:53.448984
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C32H40N4O5

SMILES: COc1ccccc1-c1ccccc1C[C@H](NC(=O)[C@@]1(C)CCOC1)C1=NC(=O)C=C1NCC(=O)N[C@H](C)C(C)C

BIRTHDAY: 2018-12-03T19:10:53.471903
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C22H25NO5

SMILES: COc1cccc(-c2ccccc2C[C@@H](NC(=O)[C@]2(C)CCOC2)C(=O)O)c1

BIRTHDAY: 2018-12-01T22:29:58.126660
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C20H26N2O5S2

SMILES: COc1cccc(C[C@H](C2=COCCCSCCCO2)N2N=S=C[C@H]2C(=O)O)c1

BIRTHDAY: 2018-12-01T22:29:58.137503
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C21H27N5O9

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

BIRTHDAY: 2018-12-01T22:29:58.168414
ATC: R02A
- RESPIRATORY SYSTEM
- THROAT PREPARATIONS
- THROAT PREPARATIONS
Synthesis Plan
FORMULA:C26H21N3O7

SMILES: COc1nnc(-c2ccc(C(=O)N[C@H](Cc3ccc(-c4cccc(C(=O)O)c4)cc3)C(=O)O)cc2)o1

BIRTHDAY: 2018-12-01T22:29:58.179456
ATC: G02C
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- OTHER GYNECOLOGICALS
Synthesis Plan
FORMULA:C24H30N2O5

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

BIRTHDAY: 2018-12-01T22:29:58.189215
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C22H25N7O2

SMILES: COc1ccc(C[C@@H](C#N)NC(=O)C2(N)CCN(c3ncnc4[nH]ccc34)CC2)cc1

BIRTHDAY: 2018-12-01T22:29:58.217053
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H28N2O7

SMILES: COc1cccc(-c2ccccc2C[C@@H](NC(=O)[C@@]2(C(=O)N[C@H](C)O)CCOC2)C(=O)O)c1

BIRTHDAY: 2018-12-01T22:29:58.227543
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C24H28N2O7

SMILES: COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(C(=O)NCCO)CCCO2)C(=O)O)cc1

BIRTHDAY: 2018-12-01T22:29:58.238199
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H25NO4

SMILES: COc1cccc(-c2ccccc2C[C@@H](NC(=O)C(C)(C)C)C(=O)O)c1

BIRTHDAY: 2018-12-01T22:29:58.277948
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan