matter.farm

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

These compounds may interact with:

Endothelin-1 receptor

Potentially involved in: intracranial aneurysm; dental caries; carcinoma; hypertension; systemic scleroderma; mandibulofacial dysostosis with alopecia; heart disease; cancer; kidney disease; portal hypertension; scarlet fever; cleft palate; diabetes mellitus, non-insulin-dependent; conductive hearing loss; congenital heart defects; diaphragmatic hernia; hypertensive disease; micrognathism; nasopharyngeal neoplasms; tooth crowding

Disease data sourced from Pharos.

Inhibitor

FORMULA:C24H21N3O3S2

SMILES: Cc1noc(NS(=O)(=O)c2cscc2CCc2ccc(C#N)c(-c3ccccc3)c2)c1C

BIRTHDAY: 2018-12-01T14:10:52.610415
ATC: N06D
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTI-DEMENTIA DRUGS
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1onc(NS(=O)(=O)c2ccc([C@@H](C)c3c(C#N)cccc3-c3ccccc3)s2)c1C

BIRTHDAY: 2018-12-01T14:10:52.620876
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C25H23N3O3S2

SMILES: Cc1ccccc1-c1ccc(CCc2sccc2S(=O)(=O)Nc2onc(C)c2C)c(C#N)c1

BIRTHDAY: 2018-12-01T14:10:52.631122
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C32H36N2O8

SMILES: COc1ccccc1-c1ccccc1[C@@]1(O)CC(=O)CN[C@](CO)(C(=O)O)[C@@H](C(=O)O)N1c1ccccc1C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:52.645481
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(C#N)c(-c3ccccc3)c2)c1C

BIRTHDAY: 2018-12-01T14:10:52.655430
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C30H31NO4

SMILES: COc1ccc(-c2ccc([C@@]3(O)CC[C@H]4C[C@@H]5C[C@H]3[C@@H]4N5Cc3ccc4c(c3)OCO4)cc2)cc1

BIRTHDAY: 2018-12-01T14:10:52.665161
ATC: V09A
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- CENTRAL NERVOUS SYSTEM
Synthesis Plan
FORMULA:C23H21BrN2O3S2

SMILES: Cc1cccc(-c2ccc(CCc3csc(S(=O)(=O)Nc4c(C)noc4Br)c3)cc2)c1

BIRTHDAY: 2018-12-01T14:10:52.674672
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C18H20O5

SMILES: COc1cccc(-c2c([C@@H](C)C(=O)O)ccc(OC)c2OC)c1

BIRTHDAY: 2018-12-01T14:10:52.682933
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C16H12F3NO3S

SMILES: C[C@@H]1Cc2cc(F)ccc2S(=O)(=O)N1C(=O)c1cc(F)ccc1F

BIRTHDAY: 2018-12-01T14:10:52.692075
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C23H21BrN2O3S2

SMILES: Cc1ccc(-c2ccc(CCc3sccc3S(=O)(=O)Nc3onc(C)c3Br)cc2)cc1

BIRTHDAY: 2018-12-01T14:10:52.701906
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H16O2

SMILES: OCc1ccccc1-c1ccccc1Oc1ccccc1

BIRTHDAY: 2018-12-01T14:10:52.708621
ATC: J02A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOTICS FOR SYSTEMIC USE
- ANTIMYCOTICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C22H20O4S

SMILES: COc1ccccc1-c1cccc([C@@]2(O)S[C@]3(OC)C=CC=C[C@H]3C2=O)c1

BIRTHDAY: 2018-12-01T14:10:52.717169
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C23H22O4

SMILES: COc1cccc(Cc2ccccc2[C@@H](C(=O)O)c2ccccc2)c1OC

BIRTHDAY: 2018-12-01T14:10:52.725174
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C23H20O4

SMILES: COc1ccccc1-c1ccc([C@]2(O)O[C@@H]3C[C@H]2c2cc(O)ccc23)cc1

BIRTHDAY: 2018-12-01T14:10:52.733542
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C19H21BrN2O3S2

SMILES: Cc1cc([C@H](C)c2csc(S(=O)(=O)Nc3noc(Br)c3C)c2)cc(C)c1C

BIRTHDAY: 2018-12-01T14:10:52.742573
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C19H19FO6

SMILES: COc1c([C@H](C)C(=O)O)ccc(C(=O)O)c1[C@H](OC)c1cccc(F)c1

BIRTHDAY: 2018-12-01T14:10:52.751700
ATC: H03A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- THYROID THERAPY
- THYROID PREPARATIONS
Synthesis Plan
FORMULA:C29H23NO5

SMILES: COc1cccc(-c2cccc([C@]3(O)C(=O)N(Cc4cccc5c4OCO5)c4ccccc43)c2)c1

BIRTHDAY: 2018-12-01T14:10:52.761638
ATC: G03A
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C24H22N2O5S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(-c3ccc(C(=O)O)cc3)cc2)c1C

BIRTHDAY: 2018-12-01T14:10:52.771957
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C28H24O4

SMILES: COc1cccc([C@H](c2ccccc2)c2cccc(-c3ccccc3OC)c2C(=O)O)c1

BIRTHDAY: 2018-12-25T02:02:55.689487
ATC: A09A
- ALIMENTARY TRACT AND METABOLISM
- DIGESTIVES, INCL. ENZYMES
- DIGESTIVES, INCL. ENZYMES
Synthesis Plan
FORMULA:C29H24O6

SMILES: COc1ccc(-c2cc(C(=O)O)c(C(=O)O)cc2[C@@H](c2ccccc2)c2ccc(OC)cc2)cc1

BIRTHDAY: 2018-12-25T02:02:55.702028
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis Plan
FORMULA:C25H21F3N2O5S2

SMILES: Cc1onc(NS(=O)(=O)c2cc([C@@H](C)c3cccc(-c4ccccc4C(=O)O)c3C(F)(F)F)cs2)c1C

BIRTHDAY: 2018-12-25T02:02:55.714039
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C27H28N2O5

SMILES: COc1cccc(-c2ccccc2[C@]2(O)NC[C@H]3COC[C@@H]2N3[C@H](C(=O)O)c2ccccc2)c1

BIRTHDAY: 2018-12-25T02:02:55.735072
ATC: C05A
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
Synthesis Plan
FORMULA:C23H22O4S

SMILES: COc1cccc(-c2ccccc2[C@@]2(O)SCO[C@@]2(CO)c2ccccc2)c1

BIRTHDAY: 2018-12-25T02:02:55.754705
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C22H22O6

SMILES: COc1cccc(-c2cccc([C@@]3(O)CC[C@@]45C[C@H]3CO[C@@]4(C(=O)O)O5)c2)c1

BIRTHDAY: 2018-12-25T02:02:55.763727
ATC: S01F
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- MYDRIATICS AND CYCLOPLEGICS
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1onc(NS(=O)(=O)c2ccc([C@H](C)c3c(C#N)cccc3-c3ccccc3)s2)c1C

BIRTHDAY: 2018-12-25T02:02:55.774317
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C25H21F3N2O5S2

SMILES: Cc1onc(NS(=O)(=O)c2cc([C@H](C)c3cccc(C(F)(F)F)c3-c3ccccc3C(=O)O)cs2)c1C

BIRTHDAY: 2018-12-25T02:02:55.808145
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C30H36O4

SMILES: COc1ccccc1-c1c([C@H](C(=O)O)c2ccccc2OC)ccc(C(C)(C)C)c1C(C)(C)C

BIRTHDAY: 2018-12-25T02:02:55.829646
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C24H22N2O5S2

SMILES: Cc1onc(NS(=O)(=O)c2ccc([C@H](C)c3cccc(-c4cccc(C(=O)O)c4)c3)s2)c1C

BIRTHDAY: 2018-12-25T02:02:55.840268
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(-c3ccccc3)cc2C#N)c1C

BIRTHDAY: 2018-12-25T02:02:55.850367
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C25H21F3N2O5S2

SMILES: Cc1onc(NS(=O)(=O)c2cc([C@@H](C)c3cccc(C(F)(F)F)c3-c3ccccc3C(=O)O)cs2)c1C

BIRTHDAY: 2018-12-03T02:38:59.431402
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C25H21F3N2O5S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(-c3ccc(C(=O)O)cc3)cc2C(F)(F)F)c1C

BIRTHDAY: 2018-12-03T02:38:59.454005
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C28H28N4O3S2

SMILES: Cc1onc(NS(=O)(=O)c2cc([C@@H](C)c3cccc([C@]45CC[C@H](C4)N=N5)c3-c3ccccc3)cs2)c1C

BIRTHDAY: 2018-12-03T02:38:59.465408
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C25H23N3O3S2

SMILES: Cc1cccc(-c2cccc(C#N)c2[C@H](C)c2csc(S(=O)(=O)Nc3noc(C)c3C)c2)c1

BIRTHDAY: 2018-12-03T02:38:59.475959
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C24H22N2O5S2

SMILES: Cc1onc(NS(=O)(=O)c2cc([C@@H](C)c3cccc(-c4cccc(C(=O)O)c4)c3)cs2)c1C

BIRTHDAY: 2018-12-03T02:38:59.496482
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C28H24O4

SMILES: COc1ccccc1-c1c(C(=O)O)cccc1[C@H](c1ccccc1)c1ccccc1OC

BIRTHDAY: 2018-12-03T02:38:59.507103
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C25H20O9

SMILES: COc1ccc(-c2cc(C(C(=O)O)C(=O)O)cc([C@H](C(=O)O)c3ccc4c(c3)OCO4)c2)cc1

BIRTHDAY: 2018-12-03T02:38:59.542089
ATC: H02A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
Synthesis Plan
FORMULA:C29H34N2O4

SMILES: COc1ccccc1-c1ccccc1[C@@]1(O)C(=O)[C@H](N)CCCCCNCc2c(OC)cccc21

BIRTHDAY: 2018-12-03T02:38:59.563199
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C29H32O5

SMILES: COc1ccc(-c2cc(C(C)(C)C)cc(C(C)C)c2[C@@H](C(=O)O)c2ccc3c(c2)OCO3)cc1

BIRTHDAY: 2018-12-03T02:38:59.574227
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C30H40N2O5

SMILES: COc1cc([C@@H](C)C(=O)O)c(Cc2ccccc2OC)c([C@@]2(C)N[C@@H]3CCC[C@H](C2=O)[C@@]3(N)C(C)C)c1

BIRTHDAY: 2018-12-03T02:38:59.586401
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C25H21F3N2O5S2

SMILES: Cc1onc(NS(=O)(=O)c2csc([C@@H](C)c3cccc(-c4cccc(C(=O)O)c4)c3C(F)(F)F)c2)c1C

BIRTHDAY: 2018-12-03T02:38:59.598520
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H21F3N2O5S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(-c3ccc(C(=O)O)cc3)c(C(F)(F)F)c2)c1C

BIRTHDAY: 2018-12-03T02:38:59.610371
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: Cc1noc(NS(=O)(=O)[C@@H]2COCc3ccccc3N[C@H]2c2ccc(C(=O)O)cc2)c1C

BIRTHDAY: 2018-12-03T02:38:59.622426
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C30H35N3O5

SMILES: COc1ccc(-c2ccc([C@]3(O)CNCCCCC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NC3)cc2)cc1

BIRTHDAY: 2018-12-03T02:38:59.633437
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C29H30N2O3

SMILES: COc1cccc(-c2ccccc2[C@@]2(O)CCC(=O)CCCCN2[C@@H](C#N)c2ccccc2)c1

BIRTHDAY: 2018-11-30T03:40:56.735977
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C22H22N2O2

SMILES: COc1cc(-c2ccc([C@]3(O)[C@H]4C[C@H]5CN(C4)C[C@H]53)cc2)ccc1C#N

BIRTHDAY: 2018-11-30T03:40:56.778401
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C26H21BrN4O3S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(-c3ncccn3)c(-c3ccccc3)c2)c1Br

BIRTHDAY: 2018-11-30T03:40:56.799693
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C19H16O2

SMILES: OCc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

BIRTHDAY: 2018-11-30T03:40:56.826235
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C28H24O4

SMILES: COc1ccc(-c2cc([C@H](c3ccccc3)c3ccc(OC)cc3)ccc2C(=O)O)cc1

BIRTHDAY: 2018-11-30T03:40:56.835172
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C25H22N2O7S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(C(=O)O)c(C(=O)O)c2-c2ccccc2)c1C

BIRTHDAY: 2018-11-30T03:40:56.846664
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C20H26O6

SMILES: COc1ccc(OC)c(C(C)c2c(OC)ccc(OC)c2OC)c1OC

BIRTHDAY: 2018-11-30T03:40:56.855910
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1onc(NS(=O)(=O)c2ccc([C@@H](C)c3cccc(C#N)c3-c3ccccc3)s2)c1C

BIRTHDAY: 2018-11-30T03:40:56.866053
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1onc(NS(=O)(=O)c2ccc([C@H](C)c3cccc(C#N)c3-c3ccccc3)s2)c1C

BIRTHDAY: 2018-11-30T03:40:56.876237
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H24O7

SMILES: COc1ccc(OC)c([C@@H](C)c2cccc(OCC(=O)O)c2OC)c1OC

BIRTHDAY: 2018-11-30T03:40:56.884933
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C39H41N5O4S2

SMILES: Cc1noc(NS(=O)(=O)c2csc([C@H](C)c3ccc(-c4ccccc4)c4cc5cc(c34)CNCCCc3ncn(c3C)CC=CCO5)c2)c1C

BIRTHDAY: 2018-11-19T08:18:56.795366
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1onc(NS(=O)(=O)c2ccc([C@H](C)c3cc(C#N)cc(-c4ccccc4)c3)s2)c1C

BIRTHDAY: 2018-11-19T08:18:56.805765
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H22Cl2FN3O4S2

SMILES: Cc1cc(F)ccc1[C@]1(c2ccccc2Cl)ON(C)c2csc(S(=O)(=O)Nc3onc(C)c3Cl)c2[C@H]1C

BIRTHDAY: 2018-11-19T08:18:56.818636
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C28H24O4

SMILES: COc1ccc(-c2ccc([C@H](c3ccccc3)c3ccc(OC)cc3)cc2C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:18:56.827699
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C21H24N2O3

SMILES: COc1ccccc1-c1cc([C@]2(O)[C@H]3C[C@@H](N=N3)C2(C)C)ccc1OC

BIRTHDAY: 2018-11-19T08:18:56.836903
ATC: R02A
- RESPIRATORY SYSTEM
- THROAT PREPARATIONS
- THROAT PREPARATIONS
Synthesis Plan
FORMULA:C34H34N2O2

SMILES: COc1ccc(-c2ccc([C@@]3(O)C[C@H]4N[C@H]3[C@@H]3CC[C@H]4N3C(c3ccccc3)c3ccccc3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:56.857713
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C14H11F3O2

SMILES: OCc1cccc(Oc2ccccc2C(F)(F)F)c1

BIRTHDAY: 2018-11-19T08:18:56.865080
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C36H41N3O5

SMILES: COc1ccc(-c2ccc([C@]3(O)CCNCCNCCC(=O)N[C@H](c4ccc(O)cc4)[C@@H]3Cc3ccc(O)cc3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:56.878768
ATC: C04A
- CARDIOVASCULAR SYSTEM
- PERIPHERAL VASODILATORS
- PERIPHERAL VASODILATORS
Synthesis Plan
FORMULA:C25H23N3O3S2

SMILES: Cc1cccc(-c2cccc(C#N)c2[C@@H](C)c2csc(S(=O)(=O)Nc3noc(C)c3C)c2)c1

BIRTHDAY: 2018-11-19T08:18:56.908756
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C24H19O9P

SMILES: COc1cccc(-c2ccccc2[C@]2(O)OPO[C@](C(=O)O)(c3ccccc3O)C(=O)C2=O)c1

BIRTHDAY: 2018-11-19T08:18:56.931804
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:C24H21N3O3S2

SMILES: Cc1onc(NS(=O)(=O)c2ccc([C@H](C)c3cc(C#N)ccc3-c3ccccc3)s2)c1C

BIRTHDAY: 2018-11-19T08:18:56.942154
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H19NO2

SMILES: COc1ccccc1-c1cccc([C@@]2(O)C3[C@@H]4CN2C[C@@H]34)c1

BIRTHDAY: 2018-11-19T08:18:56.950000
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2cc(-c3ccccc3)ccc2C#N)c1C

BIRTHDAY: 2018-11-19T08:18:56.960291
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1onc(NS(=O)(=O)c2cc([C@H](C)c3c(C#N)cccc3-c3ccccc3)cs2)c1C

BIRTHDAY: 2018-11-19T08:18:56.970684
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C25H19F3O7

SMILES: COc1ccccc1-c1cccc([C@@H](C(=O)O)c2cccc3c2OCO3)c1[C@@H](C(=O)O)C(F)(F)F

BIRTHDAY: 2018-11-19T08:18:56.984191
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C16H14N2O3

SMILES: COc1ccccc1-c1cccc([C@@]2(O)CN=NC2=O)c1

BIRTHDAY: 2018-11-19T08:18:57.012074
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C16H19N3O6S4

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2C[C@@]23COCCS(=O)(=O)N2C=CS3)c1C

BIRTHDAY: 2018-11-19T08:18:57.023435
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1onc(NS(=O)(=O)c2ccc([C@@H](C)c3cc(C#N)ccc3-c3ccccc3)s2)c1C

BIRTHDAY: 2018-11-19T08:18:57.033735
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C38H38N4O2

SMILES: COc1cccc(Cc2cccc([C@@H](C)[C@@H]3C=CCNCc4cccc(c4)Nc4nccc(n4)-c4cccc(c4)OC3)c2)c1

BIRTHDAY: 2018-11-19T08:18:57.045655
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C19H16O2

SMILES: OCc1cccc(-c2ccccc2Oc2ccccc2)c1

BIRTHDAY: 2018-11-19T08:18:57.062646
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C25H21F3N2O5S2

SMILES: Cc1onc(NS(=O)(=O)c2cc([C@H](C)c3cccc(-c4ccccc4C(=O)O)c3C(F)(F)F)cs2)c1C

BIRTHDAY: 2018-11-19T08:18:57.074729
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C27H28N2O5S2

SMILES: Cc1onc(NS(=O)(=O)c2csc([C@@H](C)c3cccc(-c4cccc(C(=O)O)c4)c3C(C)C)c2)c1C

BIRTHDAY: 2018-11-19T08:18:57.085810
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H35N5O6S2

SMILES: COc1cccc(C2(c3cccc(OC)c3)NCCCCSS[C@@H]3N=C(C(=O)NC(C)(O)O)N[C@@H]3CNC2=O)c1

BIRTHDAY: 2018-11-19T08:18:57.100408
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C27H30O5

SMILES: COc1cc(-c2ccccc2OC)c(C(C)(C)C)c([C@H](C(=O)O)c2ccccc2OC)c1

BIRTHDAY: 2018-11-19T08:18:57.120619
ATC: S01B
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C28H24O4

SMILES: COc1ccc(-c2ccc([C@H](c3ccccc3)c3ccc(OC)cc3)c(C(=O)O)c2)cc1

BIRTHDAY: 2018-11-19T08:18:57.131532
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C24H24O3Se

SMILES: COc1ccc(-c2ccc([C@@]3(O)C[Se][C@@H](c4ccc(CO)cc4)C3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:57.140010
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C53H63N7O10S2

SMILES: Cc1conc1NS(=O)(=O)c1cscc1[C@H](C)c1c([C@H](C)[C@H](C)[C@@H](N[C@@H]2OCN=C2CO)C(=O)O)cc(-c2cccc(C(=O)O)c2)c(C(C)C)c1[C@H]1Cc2cn(cn2)CCCCCOc2cccc(c2)CN1

BIRTHDAY: 2018-11-19T08:18:57.170048
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C44H43FN4O5S

SMILES: COc1ccc(-c2ccc([C@@H](C)[C@@H]3CCn4cc(c5cccc(F)c54)C(c4ccc5c(c4)OCO5)=CC4=CN(CCO3)C[C@]43N=CN(CCO)S3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:57.185775
ATC: C03D
- CARDIOVASCULAR SYSTEM
- DIURETICS
- POTASSIUM-SPARING AGENTS
Synthesis Plan
FORMULA:C29H32O5

SMILES: COc1ccccc1-c1c(C(C)C)ccc([C@@H](C(=O)O)c2cccc3c2OCO3)c1C(C)(C)C

BIRTHDAY: 2018-11-19T08:18:57.196546
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis Plan
FORMULA:C27H30F2N6O2

SMILES: Cc1ncc2nc1N[C@@H](c1ccccc1F)NC[C@@H](C#N)OC[C@H](N)C[C@@H](c1ccccc1F)CCO2

BIRTHDAY: 2018-11-19T08:18:57.208378
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C21H23NO4

SMILES: COc1ccc([C@@]2(O)CC[C@H]3NC[C@H](C2=O)c2cccc(OC)c23)cc1

BIRTHDAY: 2018-11-19T08:18:57.217085
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H21N3O3

SMILES: COc1ccc(-c2ccc([C@]3(O)CNN(c4ccccc4)C(=O)N3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:57.225973
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C20H24O7

SMILES: COc1cc(CCc2cc(OC)c(OC)c(OC)c2)ccc1OCC(=O)O

BIRTHDAY: 2018-11-19T08:18:57.234681
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C28H24O4

SMILES: COc1ccc([C@@H](c2ccccc2)c2ccc(-c3ccccc3OC)c(C(=O)O)c2)cc1

BIRTHDAY: 2018-11-19T08:18:57.244196
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1onc(NS(=O)(=O)c2cc([C@@H](C)c3c(C#N)cccc3-c3ccccc3)cs2)c1C

BIRTHDAY: 2018-11-19T08:18:57.254627
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C22H22O7

SMILES: COc1ccc(-c2ccc([C@]3(O)CO[C@@]4(O3)[C@@H](C(=O)O)[C@@H]3CC[C@H]4O3)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:57.264248
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis Plan
FORMULA:C20H23BrN2O3S2

SMILES: Cc1cc(C)c(CCc2sccc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1C

BIRTHDAY: 2018-11-19T08:18:57.274541
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C23H19NO8

SMILES: COc1cccc(-c2c(C(=O)O)ccc([C@H](C(=O)O)c3ccccc3)c2[C@H](O)[N+](=O)[O-])c1

BIRTHDAY: 2018-11-19T08:18:57.286676
ATC: H03A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- THYROID THERAPY
- THYROID PREPARATIONS
Synthesis Plan
FORMULA:C20H23BrN2O3S2

SMILES: Cc1cc(C)c([C@H](C)c2cscc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1C

BIRTHDAY: 2018-11-19T08:18:57.296416
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C19H17NO5

SMILES: CO[C@]12C=CC=C[C@@H]1[C@@H](c1cccc(C)c1)Oc1onc(C(=O)O)c12

BIRTHDAY: 2018-11-19T08:18:57.318848
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C28H24O4

SMILES: COc1ccc(-c2ccc([C@@H](c3ccccc3)c3ccc(OC)cc3)cc2C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:18:57.338106
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C21H18F6O5

SMILES: CC(C)c1cc(C(=O)O)c(-c2cc(O[C@@H](C)C(=O)O)cc(C(F)(F)F)c2)c(C(F)(F)F)c1

BIRTHDAY: 2018-11-19T08:18:57.349580
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C24H22N2O7

SMILES: COc1ccccc1-c1cccc([C@@]2(O)CN[C@@](C(=O)O)(c3cccc4c3OCO4)ON2)c1

BIRTHDAY: 2018-11-19T08:18:57.372324
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C17H21N5O4S2

SMILES: CC1=N[C@H]2[C@@H]3COC[C@@]2(N1)[S@]1(C=CC=C1S(=O)(=O)Nc1onc(C)c1C)C=N3

BIRTHDAY: 2018-11-19T08:18:57.383461
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C20H23NO2

SMILES: COc1ccc(-c2ccc([C@]3(O)CCN4CC[C@H]3C4)cc2)cc1

BIRTHDAY: 2018-11-19T08:18:57.390789
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C25H23N3O3S2

SMILES: Cc1cccc(-c2cccc(C#N)c2[C@H](C)c2ccc(S(=O)(=O)Nc3noc(C)c3C)s2)c1

BIRTHDAY: 2018-11-19T08:18:57.401469
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1onc(NS(=O)(=O)c2ccc([C@@H](C)c3cc(C#N)cc(-c4ccccc4)c3)s2)c1C

BIRTHDAY: 2018-11-19T08:18:57.411756
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C28H24O4

SMILES: COc1ccc(-c2cc([C@@H](c3ccccc3)c3ccc(OC)cc3)ccc2C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:18:57.420891
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C22H20O4

SMILES: COc1ccc(-c2ccc([C@@H](C(=O)O)c3cccc(OC)c3)cc2)cc1

BIRTHDAY: 2018-11-30T17:23:18.376512
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C25H21F3N2O5S2

SMILES: Cc1noc(C)c1NS(=O)(=O)c1sccc1[C@@H](C)c1ccc(-c2cccc(C(=O)O)c2)c(C(F)(F)F)c1

BIRTHDAY: 2018-11-30T17:23:18.429320
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C22H28N2O2S

SMILES: Cc1noc(-n2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)sc2=O)c1C

BIRTHDAY: 2018-11-30T17:23:18.437588
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C39H43N3O5S2

SMILES: Cc1cc(NS(=O)(=O)c2ccsc2CCc2ccc3c(c2-c2ccccc2)CC(=O)Nc2ccc(cc2)CCCOCCCCCC3)on1

BIRTHDAY: 2018-11-30T17:23:18.451071
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1noc(C)c1NS(=O)(=O)c1cscc1[C@H](C)c1ccc(C#N)c(-c2ccccc2)c1

BIRTHDAY: 2018-11-30T17:23:18.461475
ATC: N06D
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTI-DEMENTIA DRUGS
Synthesis Plan
FORMULA:C20H22N2O5S2

SMILES: Cc1cc(C(=O)O)c(C)c([C@@H](C)c2cc(S(=O)(=O)Nc3noc(C)c3C)cs2)c1

BIRTHDAY: 2018-11-30T17:23:18.471455
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1onc(NS(=O)(=O)c2ccc(CCc3cccc(C#N)c3-c3ccccc3)s2)c1C

BIRTHDAY: 2018-11-30T17:23:18.491751
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C24H22N2O5S2

SMILES: Cc1onc(NS(=O)(=O)c2ccc([C@@H](C)c3cccc(-c4cccc(C(=O)O)c4)c3)s2)c1C

BIRTHDAY: 2018-11-30T17:23:18.502182
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H23BrN2O3S2

SMILES: Cc1cc(C)c(CCc2ccsc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1C

BIRTHDAY: 2018-11-30T17:23:18.521729
ATC: P01A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
Synthesis Plan
FORMULA:C28H24O4

SMILES: COc1cccc(-c2c(C(=O)O)cccc2[C@H](c2ccccc2)c2cccc(OC)c2)c1

BIRTHDAY: 2018-12-02T16:06:26.578397
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C29H36N2O4

SMILES: COc1ccccc1-c1ccccc1[C@@]1(O)CC[C@]2(OC)C=CC=C[C@@H]2NCCCCC(=O)[C@H]1N

BIRTHDAY: 2018-12-02T16:06:26.610035
ATC: S01J
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C24H24O5

SMILES: COc1ccc(-c2ccc([C@]3(C(=O)O)[C@H]4C[C@@H]5C[C@H](C4)C[C@H]53)cc2C(=O)O)cc1

BIRTHDAY: 2018-12-02T16:06:26.618937
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C25H21F3N2O5S2

SMILES: Cc1onc(NS(=O)(=O)c2ccc([C@H](C)c3cccc(-c4cccc(C(=O)O)c4)c3C(F)(F)F)s2)c1C

BIRTHDAY: 2018-12-02T16:06:26.630947
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C16H22O6

SMILES: COc1ccc([C@@H]2OCC[C@@H](O)C=C[C@@H](O)[C@H](O)[C@@H]2O)cc1

BIRTHDAY: 2018-12-02T16:06:26.638974
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C26H29NO6S2

SMILES: COc1ccccc1-c1cccc(C(=O)O)c1[C@@]1(C(=O)O)CSCC[C@@]2(OC=CN2C(C)C)SC1

BIRTHDAY: 2018-12-02T16:06:26.652003
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C32H42FN5O4

SMILES: COc1ccc(-c2ccc([C@]3(O)CNCCNCCN[C@H](C(=O)O)[C@H](c4ccc(F)cc4)NC(C)(C)CN3)cc2)cc1

BIRTHDAY: 2018-12-02T16:06:26.687998
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C25H22N2O7S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(-c3ccc(C(=O)O)cc3)c(C(=O)O)c2)c1C

BIRTHDAY: 2018-12-02T16:06:26.699423
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C31H38N2O4

SMILES: COc1cccc(-c2ccc([C@@]3(O)NCCCC[C@@H](c4ccccc4OC)CNCCCC3=O)cc2)c1

BIRTHDAY: 2018-12-02T16:06:26.710087
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2[C@H](C)c2c(C#N)cccc2-c2ccccc2)c1C

BIRTHDAY: 2018-12-02T16:06:26.720669
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H25NO2

SMILES: COc1ccc(-c2ccc(C3(O)C[C@H]4CNC[C@@H](C4)C3)cc2)cc1

BIRTHDAY: 2018-12-02T16:06:26.738650
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C24H29NO2

SMILES: COc1cc(-c2ccc([C@]3(O)[C@H]4C[C@@H]5CN(C4)C[C@@H]53)cc2)ccc1C(C)C

BIRTHDAY: 2018-12-03T10:42:48.288190
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C14H11F3O2

SMILES: OCc1cccc(-c2ccccc2OC(F)(F)F)c1

BIRTHDAY: 2018-12-03T10:42:48.295556
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C15H14F2N2O3

SMILES: COc1ccccc1-c1ccc([C@@]2(O)ONNC2(F)F)cc1

BIRTHDAY: 2018-12-03T10:42:48.304362
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C25H21F3N2O5S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(-c3cccc(C(=O)O)c3)cc2C(F)(F)F)c1C

BIRTHDAY: 2018-12-03T10:42:48.326301
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C30H33N3O4S2

SMILES: Cc1onc(NS(=O)(=O)c2csc([C@@H](C)c3cccc(-c4cccc([C@@]5(C)[C@H]6CN[C@@H]5CCO6)c4)c3)c2)c1C

BIRTHDAY: 2018-12-03T10:42:48.338277
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C39H35N3O8

SMILES: COc1cccc(-c2cc(C3=CCOc4ccc(cc4)CNCCc4cn(c(C(=O)O)n4)C3)cc([C@@H](C(=O)O)c3ccc4c(c3)OCO4)c2)c1

BIRTHDAY: 2018-12-03T10:42:48.354760
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C15H13NO2S

SMILES: CC1=[SH]c2ccc(-c3ccc(C(=O)O)cc3)cc2N1

BIRTHDAY: 2018-12-03T10:42:48.393542
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:C28H32N4O5S

SMILES: COc1cccc([C@@]2(c3c(OC)cccc3OC)NN[C@](O)(c3ccccc3OC)S[C@]23NC=C[C@H]3N)c1

BIRTHDAY: 2018-12-03T10:42:48.408536
ATC: G03H
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANTIANDROGENS
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1noc(C)c1NS(=O)(=O)c1ccc([C@H](C)c2cc(C#N)ccc2-c2ccccc2)s1

BIRTHDAY: 2018-12-03T10:42:48.429357
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C31H36N4O6

SMILES: COc1cccc(-c2cccc([C@@]3(O)CNCCNC(=O)C(=O)NC[C@@](CC(=O)O)(Cc4ccccc4)NC3)c2)c1

BIRTHDAY: 2018-12-03T19:11:13.379290
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C23H23ClN2O4

SMILES: Cc1noc(C)c1N1CCOCC=Cc2cccc(c2)C(=O)O[C@@H]2C=CC=C(Cl)[C@H]21

BIRTHDAY: 2018-12-03T19:11:13.389490
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C24H22N2O5S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(-c3ccccc3C(=O)O)cc2)c1C

BIRTHDAY: 2018-12-03T19:11:13.399977
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C22H20O4

SMILES: COc1ccc(-c2ccc([C@@H](C(=O)O)c3ccc(OC)cc3)cc2)cc1

BIRTHDAY: 2018-12-03T19:11:13.426996
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C29H37ClN4O2

SMILES: COc1ccc(-c2ccc([C@]3(O)CCNCCNCCC(C)(C)Nc4cccc(Cl)c4N3)cc2)cc1

BIRTHDAY: 2018-12-03T19:11:13.437166
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1noc(NS(=O)(=O)c2cscc2[C@H](C)c2cc(C#N)ccc2-c2ccccc2)c1C

BIRTHDAY: 2018-12-03T19:11:13.469783
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C18H19NO

SMILES: COc1ccccc1-c1ccccc1[C@@H]1CC=NCC1

BIRTHDAY: 2018-12-03T19:11:13.476686
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C25H21F3N2O5S2

SMILES: Cc1onc(NS(=O)(=O)c2cc([C@@H](C)c3cccc(-c4cccc(C(=O)O)c4)c3C(F)(F)F)cs2)c1C

BIRTHDAY: 2018-12-03T19:11:13.498967
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C20H24N2O3S

SMILES: COc1cccc(-c2ccccc2[C@@]2(O)NSC(=O)N2CC(C)(C)C)c1

BIRTHDAY: 2018-12-03T19:11:13.517587
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C30H36N2O3

SMILES: COc1cccc(-c2ccccc2[C@]2(C)C=C[C@@]34C=CC=C[C@]3(OC)[C@@](N)(C(C)(C)O)N[C@@H]2C4)c1

BIRTHDAY: 2018-12-03T19:11:13.527543
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C34H45N3O6

SMILES: COc1ccccc1-c1c([C@@]2(O)NCCCC(=O)[C@](C)(C(=O)O)CCCCCCNC2(C)C)ccc2c(=O)c(C)c[nH]c12

BIRTHDAY: 2018-12-03T19:11:13.539472
ATC: A05B
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- LIVER THERAPY, LIPOTROPICS
Synthesis Plan
FORMULA:C24H21N3O3S2

SMILES: Cc1onc(NS(=O)(=O)c2cc([C@@H](C)c3cc(C#N)cc(-c4ccccc4)c3)cs2)c1C

BIRTHDAY: 2018-12-03T19:11:13.559620
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C30H36O4

SMILES: COc1ccc([C@H](C(=O)O)c2c(-c3cccc(OC)c3)cc(C(C)(C)C)cc2C(C)(C)C)cc1

BIRTHDAY: 2018-12-01T22:30:18.401936
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C22H20N2O

SMILES: COc1ccc(-c2ccc3c(c2)CCN(c2ccccc2)C=N3)cc1

BIRTHDAY: 2018-12-01T22:30:18.419329
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C25H20O9

SMILES: COc1ccccc1-c1cccc([C@@H](C(=O)O)c2cccc3c2OCO3)c1C(C(=O)O)C(=O)O

BIRTHDAY: 2018-12-01T22:30:18.441809
ATC: D05B
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C27H28N2O5S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(-c3ccc(C(=O)O)cc3)cc2C(C)C)c1C

BIRTHDAY: 2018-12-01T22:30:18.464269
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C26H27F2NO2

SMILES: COc1ccccc1-c1ccccc1[C@@]1(O)[C@@H]2C[C@@H]3N4C[C@H]5[C@H]([C@H]41)[C@@]3(CCC5(F)F)C2

BIRTHDAY: 2018-12-01T22:30:18.474386
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C25H23N3O3S2

SMILES: Cc1ccc(-c2ccc(CCc3sccc3S(=O)(=O)Nc3onc(C)c3C)c(C#N)c2)cc1

BIRTHDAY: 2018-12-01T22:30:18.484608
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:C19H19FO6

SMILES: COc1c([C@H](C)C(=O)O)ccc(C(=O)O)c1[C@@H](OC)c1cccc(F)c1

BIRTHDAY: 2018-12-01T22:30:18.516055
ATC: H03A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- THYROID THERAPY
- THYROID PREPARATIONS
Synthesis Plan
FORMULA:C27H32N6O3S2

SMILES: Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc3c(c2)NCCNCCNc2ccccc2N3)c1C

BIRTHDAY: 2018-12-01T22:30:18.537932
ATC: R02A
- RESPIRATORY SYSTEM
- THROAT PREPARATIONS
- THROAT PREPARATIONS
Synthesis Plan
FORMULA:C23H22N2O5

SMILES: COc1ccccc1-c1cccc([C@@]2(O)NCON[C@H]2c2cccc3c2OCO3)c1

BIRTHDAY: 2018-12-01T22:30:18.547830
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C25H22O8

SMILES: COc1ccccc1Cc1c(C(=O)O)ccc([C@@H](C(=O)O)c2cccc3c2OCO3)c1OC

BIRTHDAY: 2018-12-01T22:30:18.559743
ATC: D05B
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR SYSTEMIC USE
Synthesis Plan