matter.farm

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

These compounds may interact with:

Carbonic anhydrase 12

Potentially involved in: carcinoma; cancer; dehydration; hyperkalemia; hyponatremia; failure to gain weight; feeding difficulties; isolated hyperchlorhidrosis; infantile onset; pediatric failure to thrive; autosomal recessive predisposition; hyperchlorhidrosis, isolated; active ulcerative colitis; adrenocortical carcinoma; adult high grade glioma; atypical teratoid / rhabdoid tumor; breast cancer; breast carcinoma; chronic rhinosinusitis; colon cancer

Disease data sourced from Pharos.

Inhibitor

FORMULA:C17H19N5O4S

SMILES: C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)Nc1ccccc1C(=N)N

BIRTHDAY: 2018-12-01T14:10:15.856921
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C17H17N3O6S

SMILES: NS(=O)(=O)c1ccc(NC(=O)CCC(=O)Nc2ccccc2C(=O)O)cc1

BIRTHDAY: 2018-12-01T14:10:15.866681
ATC: S01B
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C17H17N3O6S

SMILES: C[C@@H](C(=O)Nc1cccc(C(=O)O)c1)C(=O)Nc1cccc(S(N)(=O)=O)c1

BIRTHDAY: 2018-12-01T14:10:15.876301
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H19NO3

SMILES: CC(C)(C)c1ccccc1C(=O)Nc1ccc(C(=O)O)cc1

BIRTHDAY: 2018-12-01T14:10:15.883491
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C17H19N5O4S

SMILES: C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)Nc1ccccc1C(=N)N

BIRTHDAY: 2018-12-01T14:10:15.893442
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C18H14N4O3S

SMILES: Cc1c2n(n(-c3ccccc3)c1=O)N=S=C2Oc1cccc(C(N)=O)c1

BIRTHDAY: 2018-12-01T14:10:15.902639
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C14H24N4O3S

SMILES: NS(=O)(=O)[C@@]12C=CC=C[C@@H]1CC(=O)CNCCNCCCN2

BIRTHDAY: 2018-12-01T14:10:15.911794
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C16H16ClN3O4S

SMILES: NS(=O)(=O)c1ccc(NC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1

BIRTHDAY: 2018-12-01T14:10:15.947806
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C26H44N2O2

SMILES: CCCCCCCCCCCCC(C)(C)[C@H](C)CC(=O)Nc1cccc(C(N)=O)c1

BIRTHDAY: 2018-12-01T14:10:15.956253
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C25H24N2O4

SMILES: CC(C)(C)c1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1

BIRTHDAY: 2018-12-01T14:10:15.965611
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C19H23N5O4S

SMILES: N=C(N)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1

BIRTHDAY: 2018-12-25T02:02:18.037886
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C25H24N2O4

SMILES: CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O)cc1

BIRTHDAY: 2018-12-25T02:02:18.047682
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H25N3O4S

SMILES: Cc1ccc(NC(=O)CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1

BIRTHDAY: 2018-12-25T02:02:18.067651
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C17H17N3O6S

SMILES: NS(=O)(=O)c1ccc(NC(=O)CCC(=O)Nc2cccc(C(=O)O)c2)cc1

BIRTHDAY: 2018-12-25T02:02:18.077645
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C26H44N2O2

SMILES: C[C@@H](C(=O)Nc1ccccc1C(N)=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-12-25T02:02:18.086058
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H19N5O4S

SMILES: N=C(N)c1ccc(NC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1

BIRTHDAY: 2018-12-25T02:02:18.095632
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C34H53N3O2

SMILES: CN(C)CCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2cccc(C(N)=O)c2)cc1

BIRTHDAY: 2018-12-25T02:02:18.105141
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C17H17N3O6S

SMILES: C[C@H](C(=O)Nc1cccc(C(=O)O)c1)C(=O)Nc1cccc(S(N)(=O)=O)c1

BIRTHDAY: 2018-12-03T02:38:22.437381
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H20N2O5

SMILES: COc1ccccc1CC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1

BIRTHDAY: 2018-12-03T02:38:22.446707
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C18H19FN2O4S

SMILES: NS(=O)(=O)c1ccc(NC(=O)CCCCC(=O)c2ccc(F)cc2)cc1

BIRTHDAY: 2018-12-03T02:38:22.455462
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C26H44N2O2

SMILES: CCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1C(N)=O

BIRTHDAY: 2018-12-03T02:38:22.463098
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H20N2O3S

SMILES: CC(C)(C)c1ccccc1C(=O)Nc1ccccc1S(N)(=O)=O

BIRTHDAY: 2018-12-03T02:38:22.491071
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C26H44N2O2

SMILES: CCCCCCCCCCCCCCCCCCC(=O)Nc1cccc(C(N)=O)c1

BIRTHDAY: 2018-12-03T02:38:22.517691
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H18N2O5

SMILES: COc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1

BIRTHDAY: 2018-11-30T03:40:18.600994
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C24H51NO

SMILES: CCCCCCCCCCCCCCCCCCCCN(C)CCCO

BIRTHDAY: 2018-11-30T03:40:18.634247
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis Plan
FORMULA:C33H51N3O2

SMILES: C[C@H](C(=O)Nc1ccccc1C(N)=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)Cc1ccccc1

BIRTHDAY: 2018-11-30T03:40:18.653396
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C22H17F3N2O3

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

BIRTHDAY: 2018-11-30T03:40:18.672877
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H27N3O4S

SMILES: C[C@@H](C(=O)Nc1ccccc1S(N)(=O)=O)[C@@]12CN3[C@H]4CC[C@H](C[C@@H]4c4ccccc41)[C@H]3O2

BIRTHDAY: 2018-11-30T03:40:18.692940
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C18H17N5O4S2

SMILES: NS(=O)(=O)c1ccc(NC(=O)CCC(=O)Nc2cccc(-c3cnns3)c2)cc1

BIRTHDAY: 2018-11-19T08:15:48.251074
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C34H51N3O3

SMILES: C[C@@H](C(=O)Nc1ccccc1[C@]12C=CC=C[C@H]1OC=NC2=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-11-19T08:15:48.281385
ATC: C03A
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, THIAZIDES
Synthesis Plan
FORMULA:C16H16ClN3O4S

SMILES: C[C@H](C(=O)Nc1cccc(Cl)c1)C(=O)Nc1cccc(S(N)(=O)=O)c1

BIRTHDAY: 2018-11-19T08:15:48.290681
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C11H16N4O3S

SMILES: NS(=O)(=O)c1cccc(NC(=O)[C@H]2CCNNC2)c1

BIRTHDAY: 2018-11-19T08:15:48.307409
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C17H19N5O4S

SMILES: C[C@H](C(=O)Nc1ccccc1C(=N)N)C(=O)Nc1ccccc1S(N)(=O)=O

BIRTHDAY: 2018-11-19T08:15:48.327270
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C18H23NO3S

SMILES: CC1(C)CC2CC(SCC(=O)Nc3ccccc3C(=O)O)(C2)C1

BIRTHDAY: 2018-11-19T08:15:48.335083
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C16H15FN2O4S

SMILES: C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)c1ccccc1F

BIRTHDAY: 2018-11-19T08:15:48.353678
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H44N2O2

SMILES: CCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(N)=O)cc1

BIRTHDAY: 2018-11-19T08:15:48.368701
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C33H51N3O2

SMILES: C[C@@H](C(=O)Nc1ccccc1-c1ccccc1C(N)=O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C

BIRTHDAY: 2018-11-19T08:15:48.378687
ATC: P03A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES
Synthesis Plan
FORMULA:C20H16N2O5S

SMILES: O=C(Nc1ccccc1C(=O)O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:15:48.388257
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C31H47N5O

SMILES: CN(C)CCCCCCCCCCC[C@@H]1Cc2ccccc2CNCCCc2cn(c3c[nH]nc23)C1=O

BIRTHDAY: 2018-11-19T08:15:48.408442
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C19H14Cl2N2O3S

SMILES: NC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)c(Cl)c2)c1

BIRTHDAY: 2018-11-19T08:15:48.417867
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H26N2O3

SMILES: C[C@H](c1ccccc1C(=O)Nc1ccc(C(=O)O)cc1)C(C)(C)N(C)C

BIRTHDAY: 2018-11-19T08:15:48.426192
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C23H48N2O3

SMILES: CCCCCCCC[C@@H](C)C(C)(C)C(C)(C)C(C)(C)N(C)C(C)(C)O[N+](=O)[O-]

BIRTHDAY: 2018-11-19T08:15:48.434066
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C19H20N4O4S

SMILES: Cc1ccccc1-c1ccnn1[C@H](CO)C(=O)Nc1ccccc1S(N)(=O)=O

BIRTHDAY: 2018-11-19T08:15:48.444258
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C17H14N4O4S2

SMILES: NS(=O)(=O)c1ccc2c(c1)-c1n[nH]c(C(=O)O)c1SN2Cc1ccccc1

BIRTHDAY: 2018-11-19T08:15:48.463292
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C14H15N5O3S

SMILES: NC(N)=Nc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1

BIRTHDAY: 2018-11-19T08:15:48.472208
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C20H31N3O4S3

SMILES: CC(C)CC(=O)NCCCCC[C@H]1CCS[C@@H](C/[NH+]=c2\c(=O)[nH]c(=O)[cH-]sc2=O)S1

BIRTHDAY: 2018-11-19T08:15:48.482437
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H45NO3

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

BIRTHDAY: 2018-11-19T08:15:48.489890
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C18H19NO3

SMILES: CC(C)(C)c1ccccc1C(=O)Nc1cccc(C(=O)O)c1

BIRTHDAY: 2018-11-19T08:15:48.497127
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C14H13N3O4S

SMILES: NS(=O)(=O)c1ccc([C@@H]2NC(=O)N2c2ccc(O)cc2)cc1

BIRTHDAY: 2018-11-19T08:15:48.506208
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H41N5O6

SMILES: CCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)NCCCCCCC(N)=O)C(=O)Nc1ccc(C)cc1

BIRTHDAY: 2018-11-19T08:15:48.517473
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C21H23ClN2S2

SMILES: Clc1ccc(/N=C2/SC=C[S@H]2N2CCC(Cc3ccccc3)CC2)cc1

BIRTHDAY: 2018-11-19T08:15:48.527807
ATC: V09I
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- TUMOUR DETECTION
Synthesis Plan
FORMULA:C23H20N2O5

SMILES: COc1cccc(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O)c1

BIRTHDAY: 2018-11-19T08:15:48.537962
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C33H36N6O5S2

SMILES: NS(=O)(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc3c(c2)OC=C2CNCC(=N2)c2cccc4c2SN(CCC3)C4)cc1

BIRTHDAY: 2018-11-19T08:15:48.552127
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C20H16N2O5S

SMILES: O=C(O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)Nc2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:15:48.561870
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C18H24F3N3O4S

SMILES: CC(C)[C@@]12CC=N[C@@]3(NC(=O)CC[C@H](NC(=O)CC(F)(F)F)C[C@@]13C(=O)O)SC2

BIRTHDAY: 2018-11-19T08:15:48.583169
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H42N2O2

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1ccccc1C(N)=O

BIRTHDAY: 2018-11-19T08:15:48.591000
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H17F3N4O5S

SMILES: CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(C(=O)N[C@@H](C#N)CO)c1

BIRTHDAY: 2018-11-19T08:15:48.602611
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis Plan
FORMULA:C17H19N5O4S

SMILES: N=C(N)c1cccc(NC(=O)CCC(=O)Nc2ccccc2S(N)(=O)=O)c1

BIRTHDAY: 2018-11-19T08:15:48.612596
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C24H50N2O3

SMILES: CCCCCCCCCCCCCCCCCCCCN(C)CCCO[N+](=O)[O-]

BIRTHDAY: 2018-11-30T17:22:40.185776
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C17H16F3N3O4S

SMILES: CNC(=O)c1cccc(S(=O)(=O)NC)c1C(=O)Nc1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-30T17:22:40.196246
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H17N3O6S

SMILES: C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1S(N)(=O)=O

BIRTHDAY: 2018-11-30T17:22:40.205944
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C29H43N3O

SMILES: Cc1ccc(/N=C(\N)c2ccc(NC(=O)CCCCCCCCCCCC(C)C)cc2)cc1

BIRTHDAY: 2018-11-30T17:22:40.214020
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C17H19N5O4S

SMILES: N=C(N)c1ccccc1NC(=O)CCC(=O)Nc1cccc(S(N)(=O)=O)c1

BIRTHDAY: 2018-11-30T17:22:40.242700
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C25H42N2O2

SMILES: CCCCCCCCCCCCCCC[C@H](C)C(=O)Nc1ccccc1C(N)=O

BIRTHDAY: 2018-12-02T16:05:48.755963
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H20N2O5

SMILES: COc1ccc(CC(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)O)c2)cc1

BIRTHDAY: 2018-12-02T16:05:48.775021
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H17N3O6S

SMILES: C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1

BIRTHDAY: 2018-12-02T16:05:48.784935
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C30H63NO

SMILES: CCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C(C)(C)OC(C)(C)C(C)C

BIRTHDAY: 2018-12-02T16:05:48.792221
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C19H23N5O4S

SMILES: CC(C)(CC(=O)Nc1ccccc1C(=N)N)C(=O)Nc1cccc(S(N)(=O)=O)c1

BIRTHDAY: 2018-12-02T16:05:48.811069
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:C22H31N3O

SMILES: CC(C)CC(=O)Nc1cccc2c1[C@]1(N)C=CC=C[C@H]1CCCCCN2

BIRTHDAY: 2018-12-02T16:05:48.819183
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C23H29NO5S

SMILES: COc1ccc2c(c1)S(=O)(=O)[C@H](C)[C@@H](c1ccc(OCCCN3CCCC3)cc1)O2

BIRTHDAY: 2018-12-02T16:05:48.828468
ATC: A07E
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C19H28N4O3S

SMILES: C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[C@]12CCC[C@H]3[C@H](N)N(CC[C@H]31)C2

BIRTHDAY: 2018-12-02T16:05:48.838023
ATC: V09A
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- CENTRAL NERVOUS SYSTEM
Synthesis Plan
FORMULA:C22H18N2O5

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

BIRTHDAY: 2018-12-02T16:05:48.847091
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C32H49N3O2

SMILES: CN(Cc1ccccc1)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CC(=O)Nc1ccccc1C(N)=O

BIRTHDAY: 2018-12-02T16:05:48.866372
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C29H43N3O

SMILES: Cc1ccccc1/N=C(\N)c1ccccc1NC(=O)[C@@H](C)C(C)(C)C(C)(C)C(C)(C)C(C)C

BIRTHDAY: 2018-12-03T10:42:10.404391
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C26H24ClN3O7S

SMILES: CC1(C)NCc2c(cccc2S(=O)(=O)Nc2cccc(Cl)c2)[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)OC1=O

BIRTHDAY: 2018-12-03T10:42:10.416318
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C17H19N5O4S

SMILES: C[C@@H](C(=O)Nc1cccc(C(=N)N)c1)C(=O)Nc1cccc(S(N)(=O)=O)c1

BIRTHDAY: 2018-12-03T10:42:10.435713
ATC: A04A
- ALIMENTARY TRACT AND METABOLISM
- ANTIEMETICS AND ANTINAUSEANTS
- ANTIEMETICS AND ANTINAUSEANTS
Synthesis Plan
FORMULA:C30H34N6O3

SMILES: COc1ncccc1-c1c2cc(c3cc(NC(=O)CC(C)C)ccc13)CNCCc1cn(nn1)CC=CCO2

BIRTHDAY: 2018-12-03T10:42:10.446985
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:C21H15F3N2O5S

SMILES: O=C(O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1

BIRTHDAY: 2018-12-03T10:42:10.457773
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H28N4O6S

SMILES: C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc2cc1CNCCC=CCOC(=O)C(=O)NC2

BIRTHDAY: 2018-12-03T10:42:10.478971
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H26N6O4S

SMILES: NC(=O)c1c2cc(cc1-c1cccc(S(N)(=O)=O)c1)OCCCCn1cc(nn1)CCNC2

BIRTHDAY: 2018-12-03T10:42:10.489882
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C21H21N3O3

SMILES: COc1ccc(C(=O)Nc2cccc(C(=O)N[C@H]3CC=CCC=N3)c2)cc1

BIRTHDAY: 2018-12-03T10:42:10.498413
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C23H26N8O7S

SMILES: Cc1cn2c(n1)COCCCCOc1nc(c(C(N)=O)nc1CC(=O)Nc1ccc(S(N)(=O)=O)cc1)NC2=O

BIRTHDAY: 2018-12-03T19:10:35.208552
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C15H13F3N4O

SMILES: NC(N)=Nc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1

BIRTHDAY: 2018-12-03T19:10:35.226317
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:C19H17FN6O4S

SMILES: N#C[C@]1(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CN=NN(c2ccc(F)cc2)C1=O

BIRTHDAY: 2018-12-03T19:10:35.246988
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C30H37N5O

SMILES: CC(C)[C@H]1NCCCN2CCN(c3cccc4ccc(cc34)Oc3cccc1c3)[C@@]1(C)NC=N[C@@]21C

BIRTHDAY: 2018-12-03T19:10:36.008037
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C26H35NO3

SMILES: CCCCCCC[C@@]12CC[C@@](Nc3ccccc3OC)(CO1)c1cccc(OC)c12

BIRTHDAY: 2018-12-03T19:10:36.036600
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C22H36N2O2

SMILES: CC(C)CCCCCCCCCCCC(=O)Nc1ccccc1C(N)=O

BIRTHDAY: 2018-12-01T22:29:40.381786
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H19N5O4S

SMILES: C[C@@H](C(=O)Nc1ccccc1C(=N)N)C(=O)Nc1ccccc1S(N)(=O)=O

BIRTHDAY: 2018-12-01T22:29:40.391885
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C23H48N2O3

SMILES: CN(C(C)(C)O[N+](=O)[O-])C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C

BIRTHDAY: 2018-12-01T22:29:40.399499
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C19H23ClN2O2

SMILES: CC(C)CC(=O)N[C@@H]1C=N[C@@]23C=CC=C(Cl)[C@]2(C=C(O)C=C3)CC1

BIRTHDAY: 2018-12-01T22:29:40.407514
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C25H24N2O4

SMILES: CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1

BIRTHDAY: 2018-12-01T22:29:40.426459
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C28H25N5O3

SMILES: CC(C)c1cnc2nc1NC(=O)c1cccc(c1)OCc1cc(cc(C(=O)Nc3ccccc3)c1)N2

BIRTHDAY: 2018-12-01T22:29:40.456933
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H26N2O4S

SMILES: NS(=O)(=O)c1ccccc1NC1(C(=O)O)CCCCCCCCC1

BIRTHDAY: 2018-12-01T22:29:40.512291
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan