matter.farm

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

These compounds may interact with:

Caspase-3

Potentially involved in: cancer; toxic encephalopathy; cerebrovascular disease; alzheimer's disease; parkinson's disease; diabetes mellitus; myocardial infarction; brain disease; eye disease; heart disease; kidney disease; hyperglycemia; brain ischemia; arthritis; liver disease; atherosclerosis; huntington's disease; lung disease; inflammatory bowel disease; hypertension

Disease data sourced from Pharos.

Negative Modulator

FORMULA:C23H27N3O5

SMILES: Cc1ccc(NC(=O)c2ccccc2C)c(C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C)c1

BIRTHDAY: 2018-12-01T14:10:27.278052
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C22H17F3N2O3

SMILES: COc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)c1

BIRTHDAY: 2018-12-01T14:10:27.287835
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H28N2O5

SMILES: CC(C)[C@@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@@]1(O)OCCC1=O

BIRTHDAY: 2018-12-01T14:10:27.296771
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C18H18F3NO4

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

BIRTHDAY: 2018-12-01T14:10:27.306735
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C18H18F3NO4

SMILES: C=C(/C=C\C(=O)O)c1ccc(C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1

BIRTHDAY: 2018-12-01T14:10:27.315904
ATC: A02A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- ANTACIDS
Synthesis Plan
FORMULA:C19H16F3NO3S

SMILES: Cc1ccc(NC(=O)[C@@H]2S[C@@H]2OC(=O)c2ccc(C(F)(F)F)cc2)cc1C

BIRTHDAY: 2018-12-01T14:10:27.325682
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C19H30F3N4O3P

SMILES: CC(C)[C@H](Nc1cn(C[C@H]2C[C@H](C(F)(F)F)C=COP2)c(=O)[nH]1)C(=O)NC(C)(C)C

BIRTHDAY: 2018-12-01T14:10:27.336593
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C31H36N8O6

SMILES: COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)NC(=O)CNCCNCCNCC(=O)NCC(=O)N4)c2)c1

BIRTHDAY: 2018-12-01T14:10:27.350250
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C18H18F3NO4

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

BIRTHDAY: 2018-12-01T14:10:27.359666
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C24H36N2O2

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

BIRTHDAY: 2018-12-01T14:10:27.377178
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H24N2O4

SMILES: Cc1cccc(C(=O)Nc2cc(C)cc(C(=O)N[C@H](C(=O)O)C(C)C)c2)c1

BIRTHDAY: 2018-12-01T14:10:27.385710
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C26H33F3N2O5

SMILES: CC(C)[C@H](NC(=O)c1cccc(/C(=C/C(=O)O)C(F)(F)F)c1)C(=O)N[C@H](C)[C@]1(C)[C@H]2CCO[C@@H]1CC2

BIRTHDAY: 2018-12-01T14:10:27.397175
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C21H20F6N2O7

SMILES: CC(C)[C@@H](NC(=O)c1ccccc1/C(=C\C(=O)O)C(F)(F)F)C(=O)N[C@@H](CC(=O)O)C(=O)C(F)(F)F

BIRTHDAY: 2018-12-01T14:10:27.412420
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C22H17F3N2O3

SMILES: COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1

BIRTHDAY: 2018-12-01T14:10:27.422665
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H27N3O5

SMILES: Cc1ccc(NC(=O)c2ccccc2C)c(C(=O)N[C@@H](C(=O)NCC(=O)O)C(C)C)c1

BIRTHDAY: 2018-12-01T14:10:27.433025
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C23H18F3N5O4

SMILES: O=C1Nc2cnc(-c3ccc(NC(=O)C(F)(F)F)cc3)c(n2)OCC=CCOc2ccccc2N1

BIRTHDAY: 2018-12-01T14:10:27.444598
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C26H23BrN4O5

SMILES: O=C(Br)Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)c2)cc1

BIRTHDAY: 2018-12-25T02:02:29.808134
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H19F3N2O2S

SMILES: CC(C)[C@]1(NC(=O)c2cccc(OCC(F)(F)F)c2)C=CSC=CN1

BIRTHDAY: 2018-12-25T02:02:29.817075
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H27N3O5

SMILES: Cc1cccc(C(=O)Nc2cccc(C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C)c2C)c1

BIRTHDAY: 2018-12-25T02:02:29.826678
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C26H31N5O3

SMILES: C=C(C(=C)c1ccccc1C(=O)N[C@@H](C(=O)C(=O)[C@@]1(C)CCCN1)C(C)C)C1=CNN=CN=C1

BIRTHDAY: 2018-12-25T02:02:29.837753
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C24H28N2O6

SMILES: Cc1ccc(C(=O)N[C@H](C(=O)N[C@H](CC(=O)O)C(=O)COc2ccccc2)C(C)C)cc1

BIRTHDAY: 2018-12-25T02:02:29.867267
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H28N2O5

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

BIRTHDAY: 2018-12-25T02:02:29.876112
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C18H27N5O3

SMILES: CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1NNC(=O)N1

BIRTHDAY: 2018-12-25T02:02:29.894847
ATC: A03C
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- ANTISPASMODICS IN COMBINATION WITH PSYCHOLEPTICS
Synthesis Plan
FORMULA:C23H27N3O5

SMILES: Cc1cccc(C(=O)Nc2cccc(C(=O)N[C@@H](C(=O)NCC(=O)O)C(C)C)c2C)c1

BIRTHDAY: 2018-12-25T02:02:29.904458
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C22H18N2O5

SMILES: COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1

BIRTHDAY: 2018-12-25T02:02:29.913584
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H17F3N2O3

SMILES: COc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c1

BIRTHDAY: 2018-12-25T02:02:29.922998
ATC: G03D
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- PROGESTOGENS
Synthesis Plan
FORMULA:C20H28N2O5

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

BIRTHDAY: 2018-12-25T02:02:29.931982
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C13H17NO4

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

BIRTHDAY: 2018-12-25T02:02:29.939478
ATC: A14A
- ALIMENTARY TRACT AND METABOLISM
- ANABOLIC AGENTS FOR SYSTEMIC USE
- ANABOLIC STEROIDS
Synthesis Plan
FORMULA:C26H31N3O7

SMILES: Cc1ccc(NC(=O)c2ccccc2C)c(C(=O)N[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)c1

BIRTHDAY: 2018-12-25T02:02:29.950902
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C20H28N2O5

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

BIRTHDAY: 2018-12-25T02:02:29.960206
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C22H31NO4

SMILES: COc1cccc(C(=O)NC23CCC(C=C2C(C)(C)O)CC3)c1C(C)(C)O

BIRTHDAY: 2018-12-03T02:38:33.829652
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H17F3N2O3

SMILES: COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1

BIRTHDAY: 2018-12-03T02:38:33.838913
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:C21H15F3N2O2

SMILES: O=C(Nc1ccccc1)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1

BIRTHDAY: 2018-12-03T02:38:33.847731
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C20H28N2O5

SMILES: CC(C)[C@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@@]1(O)OCCC1=O

BIRTHDAY: 2018-12-03T02:38:33.866372
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C20H27N3O6

SMILES: CC(C)[C@H](NC(=O)C1=CNC=CO1)C(=O)N[C@@H](CC1=C[C@H]2CC[C@H](C1)O2)C(=O)O

BIRTHDAY: 2018-12-03T02:38:33.876612
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C16H14N6O3

SMILES: COc1ccc(C(=O)Nc2cccc(C(=O)NC3N=NN=N3)c2)cc1

BIRTHDAY: 2018-12-03T02:38:33.885713
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C20H28N2O5

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

BIRTHDAY: 2018-12-03T02:38:33.894417
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C17H22N2O5

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

BIRTHDAY: 2018-12-03T02:38:33.902790
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C20H24F2N4O6

SMILES: C=C(c1ccc(C(=O)N[C@@H](C(=O)N[C@@H]2CC(=O)O[C@@H]2O)C(C)C)cc1)[C@H]1NNC(F)(F)O1

BIRTHDAY: 2018-12-03T02:38:33.913658
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C15H18N4O4

SMILES: Cc1cccc(C(=O)N[C@H](C(=O)Nc2n[nH]c(=O)o2)C(C)C)c1

BIRTHDAY: 2018-12-03T02:38:33.922142
ATC: S01F
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- MYDRIATICS AND CYCLOPLEGICS
Synthesis Plan
FORMULA:C18H25ClN2O5S

SMILES: CC(C)[C@@H](NC(=O)c1sccc1Cl)C(=O)N[C@H](CC(=O)O)[C@]1(C)CCOC1

BIRTHDAY: 2018-12-03T02:38:33.931458
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C22H27F3N2O6

SMILES: COc1ccccc1C1(C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)C(F)(F)F)CCCCCC1

BIRTHDAY: 2018-12-03T02:38:33.943376
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C18H18F3NO4

SMILES: C=C(/C=C/C(=O)O)c1ccc(C(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)cc1

BIRTHDAY: 2018-12-03T02:38:33.951953
ATC: A02A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- ANTACIDS
Synthesis Plan
FORMULA:C23H23F3N2O7

SMILES: C=C(C=C1OC=CO1)c1ccccc1C(=O)N[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)C(F)(F)F)C(C)C

BIRTHDAY: 2018-11-30T03:40:30.162383
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C21H20F6N2O7

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

BIRTHDAY: 2018-11-30T03:40:30.213705
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C21H20F6N2O7

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

BIRTHDAY: 2018-11-30T03:40:30.226413
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C26H24N4O5

SMILES: O=CNc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1

BIRTHDAY: 2018-11-30T03:40:30.268796
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H18F3NO4

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

BIRTHDAY: 2018-11-30T03:40:30.277692
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C17H22N2O5

SMILES: Cc1cccc(C(=O)N[C@H](C(=O)N[C@@H]2CC(=O)O[C@H]2O)C(C)C)c1

BIRTHDAY: 2018-11-30T03:40:30.286255
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C24H31N5O5

SMILES: Cc1cc(C(=O)N[C@H](C(=O)NC[C@@]2(O)CONN2)C(C)C)ccc1NC(=O)c1ccccc1C

BIRTHDAY: 2018-11-30T03:40:30.296852
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H15ClN3O7P

SMILES: O=C(O)C[C@@H](NC(=O)C1=Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2PO1)C(=O)O

BIRTHDAY: 2018-11-30T03:40:30.307571
ATC: M03B
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
Synthesis Plan
FORMULA:C23H41F3N4O4

SMILES: CC(C)[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@H](C(=O)NCC(F)(F)F)NC(=O)[C@@H](C)O[C@@H](C)CC1

BIRTHDAY: 2018-11-30T03:40:30.336900
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C17H19N5O2

SMILES: CC(C)[C@@H](NC(=O)c1ccc(-c2cc[nH]n2)cc1)C(=O)NCC#N

BIRTHDAY: 2018-11-19T08:15:58.514779
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C18H18F3NO4

SMILES: C=C(/C=C/C(=O)O)c1ccc(C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1

BIRTHDAY: 2018-11-19T08:15:58.553203
ATC: A02A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- ANTACIDS
Synthesis Plan
FORMULA:C25H34N4O11

SMILES: CC(C)[C@H](N[C@@]1(C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](CC(=O)O)C(=O)c2ccccc2)COCCO1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:58.566677
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C19H26N2O6

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

BIRTHDAY: 2018-11-19T08:15:58.576369
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H23F3N2O7

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

BIRTHDAY: 2018-11-19T08:15:58.587942
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C22H17F3N2O3

SMILES: COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(F)(F)F)c1

BIRTHDAY: 2018-11-19T08:15:58.608085
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H17F3N2O3

SMILES: COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)c1

BIRTHDAY: 2018-11-19T08:15:58.617993
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H20N2O7

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

BIRTHDAY: 2018-11-19T08:15:58.627373
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C21H30N2O5

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@@]1(O)OCCC1=O

BIRTHDAY: 2018-11-19T08:15:58.645483
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C14H17ClN2O5S

SMILES: CC(C)[C@H](NC(=O)c1ccsc1Cl)C(=O)N[C@]1(O)CC(=O)CO1

BIRTHDAY: 2018-11-19T08:15:58.654518
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C18H26N2O8

SMILES: COC(=O)[C@@H](NC(=O)[C@@]12COCCC(=O)C(=O)OC[C@H](CCC1=O)N2)C(C)C

BIRTHDAY: 2018-11-19T08:15:58.682500
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C25H28N2O5

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

BIRTHDAY: 2018-11-19T08:15:58.710966
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C21H15N3O6

SMILES: O=C(O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1

BIRTHDAY: 2018-11-19T08:15:58.720750
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C34H34F2N6O4

SMILES: CC(C)[C@H](NC(=O)c1cc2nc(n1)Nc1cccc(c1)COCC=CCCOc1cc-2ccn1)C(=O)Nc1ccccc1C(F)F

BIRTHDAY: 2018-11-19T08:15:58.735034
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H20N2O7

SMILES: CC(C)[C@H](NC(=O)c1ccccc1C(=O)O)C(=O)N[C@@]1(O)OCCC1=O

BIRTHDAY: 2018-11-19T08:15:58.744545
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C34H32N4O6

SMILES: COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(-c4ncc5cc4C=CC(=O)N(C)C[C@H](O)CCO5)cc3)cc2)cc1

BIRTHDAY: 2018-11-19T08:15:58.757237
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C24H28N2O6

SMILES: Cc1cccc(C(=O)N[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COc2ccccc2)C(C)C)c1

BIRTHDAY: 2018-11-19T08:15:58.767162
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H28N2O5

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

BIRTHDAY: 2018-11-19T08:15:58.776023
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C24H28N2O6

SMILES: Cc1cccc(C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)COc2ccccc2)C(C)C)c1

BIRTHDAY: 2018-11-19T08:15:58.785977
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H26N2O6

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

BIRTHDAY: 2018-11-19T08:15:58.795184
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H28F3N3O6

SMILES: CC(C)[C@H](NC(=O)[C@@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1)C(=O)N[C@H](CC(=O)O)C(=O)C(F)(F)F

BIRTHDAY: 2018-11-19T08:15:58.807903
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C21H24N2O4

SMILES: Cc1ccccc1C(=O)Nc1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)c(C)c1

BIRTHDAY: 2018-11-19T08:15:58.816410
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis Plan
FORMULA:C29H36FN3O2

SMILES: Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@]1(c2ccc(F)cc2)C[C@H]2CN3CC[C@@H]2C[C@@H]3C1)C(C)C

BIRTHDAY: 2018-11-19T08:15:58.826949
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C50H70N4O6

SMILES: Cc1ccc(C(=O)Nc2ccc(C)c(C(=O)N[C@H](C(=O)NC3=CC(=O)C[C@H]4CCC[C@@H](CCNCCOCCCCC=CCCCCCCC=CC=C3)O4)C(C)C)c2)cc1

BIRTHDAY: 2018-11-19T08:15:58.842588
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H21F3N2O4

SMILES: Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1C(=O)N[C@@H](C(=O)O)C(C)C

BIRTHDAY: 2018-11-19T08:15:58.852715
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H27N3O6

SMILES: CC(C)[C@H](NC(=O)c1ccccc1C(=O)NCc1ccccc1)C(=O)N[C@]1(O)OCCC1=O

BIRTHDAY: 2018-11-19T08:15:58.863442
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H20N2O5

SMILES: C=C(c1ccccc1C(=O)N[C@@H](C(=O)O)C(C)C)[C@]12NC1=C(C)C(=O)C2=O

BIRTHDAY: 2018-11-19T08:15:58.872610
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C27H36N2O6S

SMILES: CC(C)C1=CC(=O)CNCc2cccc(c2)CNC(=O)[C@H](C2=CO[C@H](C)CCSCCCO2)OC1=O

BIRTHDAY: 2018-11-19T08:15:58.883804
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C22H17F3N2O3

SMILES: COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1

BIRTHDAY: 2018-11-19T08:15:58.893748
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C31H36N6O5

SMILES: COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc([C@H]4NC(=O)CCNCCNC[C@H](C)NC4=O)cc3)c2)cc1

BIRTHDAY: 2018-11-19T08:15:58.906420
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C23H27N3O5

SMILES: Cc1cccc(C(=O)Nc2cc(C)cc(C(=O)N[C@@H](C(=O)NCC(=O)O)C(C)C)c2)c1

BIRTHDAY: 2018-11-19T08:15:58.916105
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C17H22N2O5

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

BIRTHDAY: 2018-11-19T08:15:58.924739
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C18H18F3NO4

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

BIRTHDAY: 2018-11-19T08:15:58.943726
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C31H38F3N3O4

SMILES: CC(C)[C@@H](NC(=O)c1ccccc1/C(=C\C(=O)O)C(F)(F)F)C(=O)N[C@H]1Cc2cccc(c2)CCCCCCCN1

BIRTHDAY: 2018-11-19T08:15:58.967537
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C20H28N2O5

SMILES: CC(C)[C@@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@]1(O)OCCC1=O

BIRTHDAY: 2018-11-19T08:15:58.976593
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C22H17F3N2O3

SMILES: COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1

BIRTHDAY: 2018-11-19T08:15:58.986318
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H24N4O5

SMILES: O=CNc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1

BIRTHDAY: 2018-11-19T08:15:58.997767
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H17F3N2O3

SMILES: COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

BIRTHDAY: 2018-11-19T08:15:59.007896
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:C18H21N3O4

SMILES: COC(=O)C1=NC(=O)[C@H]2OCCNC(C(C)C)=C2N1c1ccccc1

BIRTHDAY: 2018-11-19T08:15:59.017728
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C27H23N3O6

SMILES: COc1ccc(C(=O)Nc2ccc([C@@]34CC[C@H](NC3=O)C(=O)N4c3ccc(C(=O)O)cc3)cc2)cc1

BIRTHDAY: 2018-11-19T08:15:59.029137
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C26H24N4O5

SMILES: O=CNc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)c2)cc1

BIRTHDAY: 2018-11-19T08:15:59.039850
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H19F3N2O3

SMILES: O=C(Nc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:15:59.050594
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H24N2O3S

SMILES: COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3[C@@H]3CCC=CS3)c2)c1

BIRTHDAY: 2018-11-19T08:15:59.060350
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H31N3O8

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

BIRTHDAY: 2018-11-19T08:15:59.071501
ATC: S01B
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C26H30N4O5

SMILES: CNC(=O)[C@@H]1OC=CCN1C(=O)[C@H](NC(=O)c1ccc(C(=O)NCc2ccccc2)cc1)C(C)C

BIRTHDAY: 2018-11-30T17:22:51.823400
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C21H15F3N2O2

SMILES: O=C(Nc1ccccc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1

BIRTHDAY: 2018-11-30T17:22:51.841197
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C17H22N2O5

SMILES: Cc1cccc(C(=O)N[C@@H](C(=O)N[C@]2(O)OCCC2=O)C(C)C)c1

BIRTHDAY: 2018-11-30T17:22:51.915153
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H24N2O4

SMILES: Cc1cccc(C(=O)Nc2cccc(C(=O)N[C@@H](C(=O)O)C(C)C)c2C)c1

BIRTHDAY: 2018-11-30T17:22:51.923636
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C20H28N2O5

SMILES: CC(C)[C@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@]1(O)OCCC1=O

BIRTHDAY: 2018-11-30T17:22:51.942017
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C14H11N3O2S

SMILES: COc1ccc(C(=O)N2N=Nc3ccccc3S2)cc1

BIRTHDAY: 2018-11-30T17:22:51.949895
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C24H28N2O6

SMILES: Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](CC(=O)O)C(=O)COc1ccccc1)C(C)C

BIRTHDAY: 2018-11-30T17:22:51.969258
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H24N2O4

SMILES: Cc1cc(C(=O)N[C@H](C(=O)O)C(C)C)ccc1NC(=O)c1ccccc1C

BIRTHDAY: 2018-12-02T16:06:00.215034
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C22H23F3N2O7

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

BIRTHDAY: 2018-12-02T16:06:00.246132
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C14H23NO5

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

BIRTHDAY: 2018-12-02T16:06:00.254404
ATC: A14A
- ALIMENTARY TRACT AND METABOLISM
- ANABOLIC AGENTS FOR SYSTEMIC USE
- ANABOLIC STEROIDS
Synthesis Plan
FORMULA:C22H29BN2O5

SMILES: CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(=O)O[C@]12C=CBO2

BIRTHDAY: 2018-12-02T16:06:00.264154
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H22N2O5

SMILES: Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@]1(O)OCCC1=O)C(C)C

BIRTHDAY: 2018-12-02T16:06:00.272697
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C22H23F3N2O9S2

SMILES: CC(C)[C@H](NC(=O)c1ccccc1/C(=C/C(=O)O)C(F)(F)F)C(=O)N[C@H](CC(=O)O)C(=O)C(S)(S)C(=O)O

BIRTHDAY: 2018-12-02T16:06:00.286722
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C29H32N4O5Si

SMILES: C[Si](C)(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1

BIRTHDAY: 2018-12-02T16:06:00.301193
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C31H38N8O6

SMILES: COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc2c1NCCNCCNCCNC(=O)C(=O)NCCN2O

BIRTHDAY: 2018-12-02T16:06:00.316474
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C24H27N3O6

SMILES: CC(C)[C@@H](NC(=O)c1cccc(C(=O)NCc2ccccc2)c1)C(=O)N[C@@H]1CC(=O)O[C@@H]1O

BIRTHDAY: 2018-12-02T16:06:00.335589
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H27N3O6

SMILES: CC(C)[C@@H](NC(=O)c1ccc(C(=O)NCc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O

BIRTHDAY: 2018-12-02T16:06:00.345964
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C23H27N3O5

SMILES: Cc1cc(NC(=O)c2ccccc2C)cc(C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C)c1

BIRTHDAY: 2018-12-03T10:42:21.867588
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C20H26F3N3O

SMILES: CC(C)[C@]12CCC[C@@H](C=C[C@@]1(N)C(=O)NCc1ccccc1C(F)(F)F)N2

BIRTHDAY: 2018-12-03T10:42:21.877148
ATC: P03A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES
Synthesis Plan
FORMULA:C25H26N2O3

SMILES: COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(C(C)(C)C)cc1

BIRTHDAY: 2018-12-03T10:42:21.895445
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H23F3N2O7

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

BIRTHDAY: 2018-12-03T10:42:21.916936
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C20H28N2O5

SMILES: CC(C)[C@@H](NC(=O)c1cccc(C(C)(C)C)c1)C(=O)N[C@]1(O)OCCC1=O

BIRTHDAY: 2018-12-03T10:42:21.964504
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C18H18ClN3O2

SMILES: CC(C)[C@@]1(c2ccccc2)NC(=O)NC(=O)N1c1cccc(Cl)c1

BIRTHDAY: 2018-12-03T10:42:21.973617
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C23H21N3O3S

SMILES: O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@@]12C=CC=C[C@H]1CNSCC2=O

BIRTHDAY: 2018-12-03T10:42:21.993435
ATC: A14A
- ALIMENTARY TRACT AND METABOLISM
- ANABOLIC AGENTS FOR SYSTEMIC USE
- ANABOLIC STEROIDS
Synthesis Plan
FORMULA:C21H21F3N2O4

SMILES: Cc1cccc(C(=O)N[C@@H](C(=O)O)C(C)C)c1NC(=O)c1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-12-03T10:42:22.013374
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H27N3O5

SMILES: Cc1cccc(C(=O)Nc2cccc(C)c2C(=O)N[C@@H](C(=O)NCC(=O)O)C(C)C)c1

BIRTHDAY: 2018-12-03T19:10:47.638272
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C20H28N2O5

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

BIRTHDAY: 2018-12-03T19:10:47.666052
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C22H17F3N2O3

SMILES: COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(F)(F)F)cc1

BIRTHDAY: 2018-12-03T19:10:47.696530
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C29H36N4O

SMILES: C1=CC2=CN(CC2)[C@@H](c2cccc(OCc3ccccc3)c2)CNCCNCCN2C=C1CC2

BIRTHDAY: 2018-12-03T19:10:47.715191
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C20H26N2O6

SMILES: COc1cccc2c1C[C@H]1C[C@@H]2CO[C@@H]1NC(=O)C1(C(=O)NO)CCOCC1

BIRTHDAY: 2018-12-03T19:10:47.734445
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C11H16N4O2S

SMILES: CC(C)[C@@H](NC1=Nc2ncsc2NCC1)C(=O)O

BIRTHDAY: 2018-12-03T19:10:47.742502
ATC: C03A
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, THIAZIDES
Synthesis Plan
FORMULA:C20H25N3O

SMILES: Cc1ccccc1C(=O)Nc1cccc2c1NCCCCCCN2

BIRTHDAY: 2018-12-03T19:10:47.759781
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C17H20N2O7

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

BIRTHDAY: 2018-12-03T19:10:47.769127
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C28H30N6O8

SMILES: CC(C)[C@H](NC(=O)c1ccc(C(=O)NCc2ccccc2)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)c1nn(C)c(=O)[nH]c1=O

BIRTHDAY: 2018-12-01T22:29:52.153876
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H15F3N2O2

SMILES: O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(C(F)(F)F)cc1

BIRTHDAY: 2018-12-01T22:29:52.181894
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:C19H18N2O6S

SMILES: C=C(c1cccc(C(=O)N[C@@H](C(=O)O)C(C)C)c1)c1cc(=O)[nH]c(=O)c(=O)s1

BIRTHDAY: 2018-12-01T22:29:52.191575
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C18H23N3O2

SMILES: Cc1ccccc1C(=O)N[C@@H](C(=O)NC1=CCCN=C1)C(C)C

BIRTHDAY: 2018-12-01T22:29:52.247646
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C22H33N3O2

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

BIRTHDAY: 2018-12-01T22:29:52.255854
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C27H36N4O4

SMILES: Cc1cccc(C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(C)C)[C@@H](C)C(=O)Nc2ccccc2C)C(C)C)c1

BIRTHDAY: 2018-12-01T22:29:52.266081
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan