matter.farm

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

These compounds may interact with:

Intercellular adhesion molecule 1

Potentially involved in: atherosclerosis; carcinoma; cancer; diabetes mellitus; leukostasis; malaria; asthma; hypersensitivity reaction type ii disease; kidney disease; coronary artery disease; diabetic retinopathy; hypertension; inflammatory bowel disease; arthritis; cerebrovascular disease; lung disease; vasculitis; dermatitis; psoriasis; multiple sclerosis

Disease data sourced from Pharos.

Inhibitor

FORMULA:C25H28F4N4O

SMILES: CC(C)[C@H](CC(=O)N1CCCC[C@@]1(CC#N)Nc1ccnc(C(F)(F)F)c1)c1ccccc1F

BIRTHDAY: 2018-12-01T14:11:35.896329
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C13H15N5O3

SMILES: C[C@@H]1NC=COCCCC(=O)Oc2nc(cnc2C#N)N1

BIRTHDAY: 2018-12-01T14:11:35.905183
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C25H28F4N4O

SMILES: CC(C)[C@@H](CC(=O)N1CCC(CC#N)(Nc2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1

BIRTHDAY: 2018-12-01T14:11:35.915833
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C19H13F3N2OS

SMILES: NC(=O)c1ccccc1Sc1ccc(-c2cccnc2)cc1C(F)(F)F

BIRTHDAY: 2018-12-01T14:11:35.925256
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H17F3N2O2S

SMILES: COc1ccc(Sc2ccc(-c3ccnc(NC(C)=O)c3)cc2C(F)(F)F)cc1

BIRTHDAY: 2018-12-01T14:11:35.935090
ATC: N01B
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, LOCAL
Synthesis Plan
FORMULA:C23H19F3N4O2S

SMILES: COc1cccc(Sc2cc(-c3cncc4c3N=CN[C@@H]4NC(C)=O)cc(C(F)(F)F)c2)c1

BIRTHDAY: 2018-12-01T14:11:35.945751
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C16H9F6NO3

SMILES: O=C(O)c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1C(F)(F)F

BIRTHDAY: 2018-12-01T14:11:35.955909
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C22H27NO3S2

SMILES: CC(C)CSc1cccc(Sc2cccc(C(=O)N[C@@H](C(=O)O)C(C)C)c2)c1

BIRTHDAY: 2018-12-01T14:11:35.964413
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H33N7O6

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

BIRTHDAY: 2018-12-01T14:11:35.975923
ATC: A11H
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- OTHER PLAIN VITAMIN PREPARATIONS
Synthesis Plan
FORMULA:C21H25NO3S2

SMILES: CC(C)Sc1cccc(Sc2ccccc2C(=O)N[C@H](C(=O)O)C(C)C)c1

BIRTHDAY: 2018-12-01T14:11:35.984382
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C27H41N7O5S

SMILES: Cc1ccnc([C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2C=NCCCSC2)C(C)C)[C@@H](C)C(N)=O)C(N)=O)c1

BIRTHDAY: 2018-12-01T14:11:36.008807
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C23H25FN2OS

SMILES: C[C@@]12CC[C@H]3CCN1[C@H]3C[C@@]2(F)c1ccccc1Sc1ccccc1C(N)=O

BIRTHDAY: 2018-12-01T14:11:36.017754
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C20H21F3N2O2S

SMILES: CC(C)[C@@H](CC(=O)Nc1cccc(SC(F)(F)F)c1)c1ccccc1C(N)=O

BIRTHDAY: 2018-12-01T14:11:36.028297
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C18H15F3N3O2PS

SMILES: COc1cccc(Sc2cccc(C(F)(F)F)c2-c2[nH]nc3c2NPOC3)c1

BIRTHDAY: 2018-12-01T14:11:36.048353
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H25F3N4OS

SMILES: COc1cccc(Sc2cccc(C(F)(F)F)c2-c2cncnc2NC2(N)CCCCC2)c1

BIRTHDAY: 2018-12-01T14:11:36.068002
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H25F3N4OS

SMILES: COc1cccc(Sc2cc(-c3ncc(NC4(N)CCCCC4)cn3)cc(C(F)(F)F)c2)c1

BIRTHDAY: 2018-12-01T14:11:36.078563
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C20H21F3N2O2S

SMILES: CC(C)[C@H](CC(=O)Nc1ccc(SC(F)(F)F)cc1)c1cccc(C(N)=O)c1

BIRTHDAY: 2018-12-25T02:03:38.836064
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C21H25NO3S2

SMILES: CC(C)Sc1cccc(Sc2cccc(C(=O)N[C@H](C(=O)O)C(C)C)c2)c1

BIRTHDAY: 2018-12-25T02:03:38.844421
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C32H50N6O3

SMILES: CC(C)[C@@H](CC(=O)N1CCCC[C@]1(C)C(C)(C)C(N)=O)C(=O)NC(C)(C)C(C)(C)c1ccnc2c1[C@H](C)C=NN=C2

BIRTHDAY: 2018-12-25T02:03:38.857186
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C23H29NO3S

SMILES: CC(C)[C@@H](CC(=O)Nc1ccccc1SC(C)(C)C)c1cccc(C(=O)O)c1

BIRTHDAY: 2018-12-25T02:03:38.884944
ATC: G03G
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- GONADOTROPINS AND OTHER OVULATION STIMULANTS
Synthesis Plan
FORMULA:C18H19ClF3N3OS

SMILES: CC[C@H](C(=O)Nc1cccc(Sc2cncnc2C(F)(F)F)c1Cl)C(C)C

BIRTHDAY: 2018-12-25T02:03:38.894237
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H17F3N2O2S

SMILES: COc1cccc(Sc2cccc(C(F)(F)F)c2-c2cnccc2NC(C)=O)c1

BIRTHDAY: 2018-12-25T02:03:38.903792
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C21H22F3N3O3S

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

BIRTHDAY: 2018-12-25T02:03:38.914712
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H17F3N2O2S

SMILES: COc1ccccc1Sc1ccc(-c2ccnc(NC(C)=O)c2)cc1C(F)(F)F

BIRTHDAY: 2018-12-25T02:03:38.942440
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C22H27NO3S2

SMILES: CC(C)CSc1cccc(Sc2cccc(C(=O)N[C@H](C(=O)O)C(C)C)c2)c1

BIRTHDAY: 2018-12-25T02:03:38.961347
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H28F4N4O

SMILES: CC(C)[C@H](CC(=O)N1CCC(CC#N)(Nc2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1

BIRTHDAY: 2018-12-25T02:03:38.971892
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C23H18F3N3OS

SMILES: COc1cccc(Sc2cccc(C(F)(F)F)c2-c2ncccc2N2C=CC=CN2)c1

BIRTHDAY: 2018-12-25T02:03:38.982934
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C22H28N2O2S

SMILES: Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cccc(SC(C)C)c1)C(C)C

BIRTHDAY: 2018-12-25T02:03:38.991460
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C24H36N2O6

SMILES: CC(C)[C@@H](CC(=O)N1CCC(CO)(CCCCOc2ccc(C(N)=O)cc2)CC1)C(=O)O

BIRTHDAY: 2018-12-03T02:39:44.303132
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C24H32ClNOS

SMILES: CC(C)CS[C@@]12C=CC=C[C@@H]1CN(C(=O)C[C@H](c1cccc(Cl)c1)C(C)C)C2

BIRTHDAY: 2018-12-03T02:39:44.311722
ATC: A11D
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Synthesis Plan
FORMULA:C27H34FN3O3

SMILES: CC(C)[C@H](CC(=O)N1CCC(C)(CC(=O)Nc2cccc(C(N)=O)c2)CC1)c1ccc(F)cc1

BIRTHDAY: 2018-12-03T02:39:44.321632
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C18H17F3O3S

SMILES: COc1cccc(Sc2ccc3c(c2C(F)(F)F)COCO[C@@H]3C)c1

BIRTHDAY: 2018-12-03T02:39:44.330655
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H21F3N4O6

SMILES: CC(C)[C@H](NC(=O)C1=CCN(c2cnccc2C(F)(F)F)C(=O)CO1)C(=O)NCC(=O)O

BIRTHDAY: 2018-12-03T02:39:44.352487
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C29H48N4O3

SMILES: Cc1cnccc1C(C)(C)C(C)(C)NC(=O)[C@H](CC(=O)N1CCCC[C@]1(C)C(C)(C)C(N)=O)C(C)C

BIRTHDAY: 2018-12-03T02:39:44.409193
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H13F3N2OS

SMILES: NC(=O)c1ccc(Sc2ccc(C(F)(F)F)c(-c3ccncc3)c2)cc1

BIRTHDAY: 2018-12-03T02:39:44.428615
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C18H20F3N5O5S2

SMILES: CC(C)[C@@H](CC(=O)Nc1ccc(SC(F)(F)F)cc1)C(=O)NC1=NC(C(N)=O)=CS(=O)(=O)N1

BIRTHDAY: 2018-12-03T02:39:44.440679
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C22H26NO4PS2

SMILES: CC(C)[C@@H](NC(=O)c1ccc(Sc2ccc(S[C@H]3CCOPC3)cc2)cc1)C(=O)O

BIRTHDAY: 2018-12-03T02:39:44.460990
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C25H33NO

SMILES: Cc1ccc([C@H](CC(=O)N2CCC(Cc3ccccc3)CC2)C(C)C)cc1

BIRTHDAY: 2018-12-03T02:39:44.468411
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C25H34N4O5S

SMILES: CC(C)[C@H](c1ccccc1C(=O)N[C@@H](C(=O)O)C(C)(C)N(C)C)[C@@]12C=CC=C[C@@H]1N=CNS2(=O)=O

BIRTHDAY: 2018-12-03T02:39:44.481408
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C24H25F3N2O2S

SMILES: COc1cccc(Sc2cccc(C(F)(F)F)c2-c2ccc(N[C@@H](CO)C(C)C)cn2)c1

BIRTHDAY: 2018-11-30T03:41:40.259326
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C22H28ClNOS

SMILES: CC(C)[C@H](CC(=O)Nc1cccc(SC(C)(C)C)c1)c1cccc(Cl)c1

BIRTHDAY: 2018-11-30T03:41:40.267339
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C21H25NO3S2

SMILES: CC(C)Sc1ccc(Sc2ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cc2)cc1

BIRTHDAY: 2018-11-30T03:41:40.285805
ATC: S01X
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OTHER OPHTHALMOLOGICALS
Synthesis plan pending
FORMULA:C22H27NO3S2

SMILES: CC(C)CSc1ccc(Sc2ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc2)cc1

BIRTHDAY: 2018-11-30T03:41:40.305041
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis plan pending
FORMULA:C20H21Cl2N3O2

SMILES: C[C@H]1[C@H](Oc2ccc(-c3ccc(Cl)c(Cl)c3)cc2C([NH-])=O)[NH+]2CCN1CC2

BIRTHDAY: 2018-11-30T03:41:40.314532
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis plan pending
FORMULA:C23H27F2NO2

SMILES: CC(C)[C@H](CC(=O)N1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1

BIRTHDAY: 2018-11-30T03:41:40.323092
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C17H15ClF3N3O3S

SMILES: CC(C)[C@H](C(=O)O)C(=O)Nc1ccc(Sc2ncc(C(F)(F)F)cn2)c(Cl)c1

BIRTHDAY: 2018-11-30T03:41:40.343002
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis plan pending
FORMULA:C31H40N6OS2

SMILES: COc1ccc(Sc2ccccc2[C@@H](C)Nc2cnc3cc2C2=N[C@H](CS2)CN(C)CCNCCCNC3)cc1

BIRTHDAY: 2018-11-30T03:41:40.355417
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C23H28N2O4S

SMILES: CC(C)Sc1ccc(NC(=O)C[C@H](C(=O)Nc2ccccc2C(=O)O)C(C)C)cc1

BIRTHDAY: 2018-11-30T03:41:40.364653
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C20H11F6NO2S

SMILES: O=C(O)c1cccc(Sc2cc(-c3ccncc3)ccc2C(F)(F)F)c1C(F)(F)F

BIRTHDAY: 2018-11-30T03:41:40.375553
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis plan pending
FORMULA:C24H25F3N4OS

SMILES: COc1ccccc1Sc1ccc(-c2cc(N[C@H]3CCCC[C@H]3N)ncn2)c(C(F)(F)F)c1

BIRTHDAY: 2018-11-30T03:41:40.394605
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis plan pending
FORMULA:C23H24N4O3S

SMILES: COc1ccccc1Sc1ccccc1C1=CC=NC(C(N)=O)=C(C(=O)NC(C)C)N1

BIRTHDAY: 2018-11-30T03:41:40.404419
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C21H17F3N2O2S

SMILES: COc1cccc(Sc2ccc(C(F)(F)F)c(-c3cnccc3NC(C)=O)c2)c1

BIRTHDAY: 2018-11-30T03:41:40.423803
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis plan pending
FORMULA:C20H21F3N2O2S

SMILES: CC(C)[C@@H](CC(=O)Nc1ccc(SC(F)(F)F)cc1)c1cccc(C(N)=O)c1

BIRTHDAY: 2018-11-30T03:41:40.432944
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis plan pending
FORMULA:C22H16F3N3OS

SMILES: COc1ccccc1Sc1ccc(-c2c[nH]nc2-c2ccccn2)cc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:17:43.781330
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis plan pending
FORMULA:C19H27NO3S

SMILES: CC(C)[C@@H](C)NC(=O)c1ccccc1S[C@@]12OCC[C@@H](CO1)[C@@H]2C

BIRTHDAY: 2018-11-19T08:17:43.808958
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis plan pending
FORMULA:C25H28F4N4O

SMILES: CC(C)[C@H](CC(=O)N1CCCC[C@]1(CC#N)Nc1ccnc(C(F)(F)F)c1)c1ccccc1F

BIRTHDAY: 2018-11-19T08:17:43.828711
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C24H25F3N4OS

SMILES: COc1ccc(Sc2ccc(C(F)(F)F)cc2-c2ncc(NC3(N)CCCCC3)cn2)cc1

BIRTHDAY: 2018-11-19T08:17:43.839197
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C21H17F3N2O2S

SMILES: COc1ccccc1Sc1ccc(-c2ccnc(NC(C)=O)c2)c(C(F)(F)F)c1

BIRTHDAY: 2018-11-19T08:17:43.848544
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis plan pending
FORMULA:C22H16F3N3OS

SMILES: COc1cccc(Sc2cccc(C(F)(F)F)c2-c2[nH]ncc2-c2cccnc2)c1

BIRTHDAY: 2018-11-19T08:17:43.859277
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C21H18F3N3OS

SMILES: CNC(=O)c1ccccc1Sc1ccc(-c2ccnc(NC)c2)cc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:17:43.878712
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 pending
FORMULA:C31H38ClF3N2O4

SMILES: CC(C)[C@H](C(F)(F)F)[C@@]1(C)CCCC(=O)CCN(NC(=O)c2cccc(Cl)c2)c2ccc(cc2)C(=O)CCOCC1

BIRTHDAY: 2018-11-19T08:17:43.892230
ATC: C03D
- CARDIOVASCULAR SYSTEM
- DIURETICS
- POTASSIUM-SPARING AGENTS
Synthesis plan pending
FORMULA:C24H26N2O3S

SMILES: COc1ccccc1Sc1ccc2c(c1)NCC(=O)C(=O)C1=CN(CCCC2)CC1

BIRTHDAY: 2018-11-19T08:17:43.901428
ATC: C05A
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
Synthesis plan pending
FORMULA:C28H36N2O2S2

SMILES: CC(C)Sc1cccc(Sc2cccc(C(=O)N[C@]3(C(C)C)NC[C@@H]4CCC[C@@H]3C(=O)C4)c2)c1

BIRTHDAY: 2018-11-19T08:17:43.920476
ATC: C05B
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- ANTIVARICOSE THERAPY
Synthesis plan pending
FORMULA:C18H26N6O4

SMILES: CC(C)[C@H](C#N)NC(=O)[C@H]1CCOCCNCNc2cncc(n2)OCC1=O

BIRTHDAY: 2018-11-19T08:17:43.930549
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis plan pending
FORMULA:C25H28F4N4O

SMILES: CC(C)[C@@H](CC(=O)N1CCCC[C@]1(CC#N)Nc1ccnc(C(F)(F)F)c1)c1ccccc1F

BIRTHDAY: 2018-11-19T08:17:43.941228
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C21H18F3N3OS

SMILES: CNC(=O)c1ccc(Sc2cccc(C(F)(F)F)c2-c2cnccc2NC)cc1

BIRTHDAY: 2018-11-19T08:17:43.950791
ATC: C05B
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- ANTIVARICOSE THERAPY
Synthesis plan pending
FORMULA:C21H26FNOS

SMILES: CC(C)Sc1cccc(NC(=O)C[C@@H](c2cccc(F)c2)C(C)C)c1

BIRTHDAY: 2018-11-19T08:17:43.958684
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis plan pending
FORMULA:C21H25NO3S2

SMILES: CC(C)Sc1ccc(Sc2ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc2)cc1

BIRTHDAY: 2018-11-19T08:17:43.967219
ATC: S01X
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OTHER OPHTHALMOLOGICALS
Synthesis plan pending
FORMULA:C15H15NO4S

SMILES: NC(=O)c1ccc(S[C@@]23C=CC(O)=C[C@@H]2OCCO3)cc1

BIRTHDAY: 2018-11-19T08:17:43.975340
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis plan pending
FORMULA:C32H40N4O5S

SMILES: O=C(O)[C@@H]1CNCCCCCCCCCCN1c1c2ncnc1-c1cccc(c1)O[C@@H](O)CCOc1cccc(c1)S2

BIRTHDAY: 2018-11-19T08:17:43.989672
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis plan pending
FORMULA:C22H25F3N2O2

SMILES: Cc1ccc(C)c(C(=O)N[C@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)C(C)C)c1

BIRTHDAY: 2018-11-19T08:17:43.999138
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C20H26FN3O3

SMILES: CC(C)[C@@H](CC(=O)N1CCCC[C@H]1N1CNC(=O)C1=O)c1ccccc1F

BIRTHDAY: 2018-11-19T08:17:44.008399
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C22H28N2O2S

SMILES: Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(SC(C)C)cc1)C(C)C

BIRTHDAY: 2018-11-19T08:17:44.016583
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis plan pending
FORMULA:C23H29NO3S

SMILES: CC(C)[C@H](CC(=O)Nc1cccc(SC(C)(C)C)c1)c1ccccc1C(=O)O

BIRTHDAY: 2018-11-19T08:17:44.034848
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis plan pending
FORMULA:C22H25F3N2O2

SMILES: Cc1cccc(C(=O)N[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1C

BIRTHDAY: 2018-11-19T08:17:44.043763
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C19H26N4O3

SMILES: COc1ccccc1[C@H]1CCCOCCNCNc2cncc(n2)OC1

BIRTHDAY: 2018-11-19T08:17:44.063841
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis plan pending
FORMULA:C18H19ClF3N3OS

SMILES: CC[C@H](C(=O)Nc1ccc(Cl)cc1Sc1ncc(C(F)(F)F)cn1)C(C)C

BIRTHDAY: 2018-11-19T08:17:44.092798
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis plan pending
FORMULA:C26H27N7O4S

SMILES: O=C1C[C@H](Cc2ccccc2)NC(=O)c2nc(c(O)s2)-c2nnn(n2)CCNC[C@H](Cc2ccccc2)O1

BIRTHDAY: 2018-11-19T08:17:44.115002
ATC: D06A
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- ANTIBIOTICS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C25H21F3N2O3S2

SMILES: O=C(O)c1cccc(Sc2cccc(C(F)(F)F)c2[C@@]23C=CC=N[C@]2(N2CCOCC2)SC=C3)c1

BIRTHDAY: 2018-11-19T08:17:44.127320
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C25H19F3N2O3S2

SMILES: O=C(O)c1ccccc1Sc1ccc(-c2cc3ccc(N4CCOCC4)nc3s2)cc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:17:44.138908
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C22H28N2O2S

SMILES: Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(SC(C)C)cc1)C(C)C

BIRTHDAY: 2018-11-19T08:17:44.147121
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis plan pending
FORMULA:C25H28F4N4O

SMILES: CC(C)[C@@H](CC(=O)N1CCCC[C@@]1(CC#N)Nc1ccnc(C(F)(F)F)c1)c1ccccc1F

BIRTHDAY: 2018-11-19T08:17:44.174949
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C22H33N7O6

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

BIRTHDAY: 2018-11-19T08:17:44.196665
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis plan pending
FORMULA:C21H25NO3S2

SMILES: CC(C)Sc1cccc(Sc2cccc(C(=O)N[C@@H](C(=O)O)C(C)C)c2)c1

BIRTHDAY: 2018-11-19T08:17:44.205165
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis plan pending
FORMULA:C27H38F3N5O5

SMILES: CC(C)[C@@H](CC(=O)N1CCCC[C@@]1(C)CC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C(N)=O)[C@@H](C)C(N)=O

BIRTHDAY: 2018-11-19T08:17:44.218144
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis plan pending
FORMULA:C21H17F3N2O2S

SMILES: COc1ccccc1Sc1ccc(-c2cccc(NC(C)=O)n2)cc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:17:44.227839
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis plan pending
FORMULA:C26H50N2O5

SMILES: CC(C)[C@H](CO)CC(=O)N1CCCC[C@]1(CO)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(=O)NO

BIRTHDAY: 2018-11-19T08:17:44.238434
ATC: L03A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSTIMULANTS
- IMMUNOSTIMULANTS
Synthesis plan pending
FORMULA:C17H24N2OS

SMILES: CC1(C)C[C@@H]2CN3CC[C@@H]2[C@H](NC(=O)c2cccs2)[C@H]3C1

BIRTHDAY: 2018-11-19T08:17:44.256850
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis plan pending
FORMULA:C19H29Cl2N5O3S

SMILES: CC(C)CNC(=O)[C@H](N[C@@H]1NC(=N)N(C)S(=O)(=O)[C@H]1c1ccc(Cl)cc1Cl)C(C)C

BIRTHDAY: 2018-11-19T08:17:44.267497
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C28H44N2O4

SMILES: CC(C)C[C@]1(CO[C@H](C)[C@]2(C)CNc3ccccc32)CCCCN1C(=O)C[C@H](C(=O)O)C(C)C

BIRTHDAY: 2018-11-19T08:17:44.277202
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis plan pending
FORMULA:C24H40N8O4

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

BIRTHDAY: 2018-11-19T08:17:44.288970
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis plan pending
FORMULA:C22H28N4O3

SMILES: CC(C)[C@H](CC(=O)N1CCC(N2CC(=O)NC2=O)CC1)c1c[nH]c2ccccc12

BIRTHDAY: 2018-11-19T08:17:44.328635
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:C24H25F3N4OS

SMILES: COc1ccccc1Sc1cccc(C(F)(F)F)c1-c1ncc(NC2(N)CCCCC2)cn1

BIRTHDAY: 2018-11-19T08:17:44.339498
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C22H27NO3S2

SMILES: CC(C)CSc1ccccc1Sc1cccc(C(=O)N[C@@H](C(=O)O)C(C)C)c1

BIRTHDAY: 2018-11-19T08:17:44.348182
ATC: D03A
- DERMATOLOGICALS
- PREPARATIONS FOR TREATMENT OF WOUNDS AND ULCERS
- CICATRIZANTS
Synthesis plan pending
FORMULA:C22H28ClNOS

SMILES: CC(C)[C@@H](CC(=O)Nc1cccc(SC(C)(C)C)c1)c1cccc(Cl)c1

BIRTHDAY: 2018-11-19T08:17:44.356190
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C17H11F6NO3

SMILES: COC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

BIRTHDAY: 2018-11-30T17:24:01.814598
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C23H42N6O5

SMILES: CC(C)[C@@H](CC(=O)N1CCCC[C@@]1(C)C(C)(C)C(N)=O)C(=O)N[C@H](C(=O)O)C(C)(C)NC(=N)N

BIRTHDAY: 2018-11-30T17:24:01.834235
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H33NO

SMILES: Cc1cccc([C@H](CC(=O)N2CCCC[C@]2(C)c2ccccc2)C(C)C)c1

BIRTHDAY: 2018-11-30T17:24:01.850950
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C22H27NO3S2

SMILES: CC(C)CSc1ccc(Sc2cccc(C(=O)N[C@@H](C(=O)O)C(C)C)c2)cc1

BIRTHDAY: 2018-11-30T17:24:01.868601
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C24H25F3N4OS

SMILES: COc1ccccc1Sc1ccc(-c2cc(N[C@H]3CCCC[C@H]3N)ncn2)cc1C(F)(F)F

BIRTHDAY: 2018-11-30T17:24:01.896305
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C18H19F3N2O4S

SMILES: CC(C)(C(=O)O)c1ccccc1N1C[C@@]2(C)N=CC=C[C@]2(C(F)(F)F)S1(=O)=O

BIRTHDAY: 2018-11-30T17:24:01.907091
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H27NO3S2

SMILES: CC(C)CSc1ccc(Sc2ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cc2)cc1

BIRTHDAY: 2018-11-30T17:24:01.925136
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C17H12F6N2O2S

SMILES: CSc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(N)=O

BIRTHDAY: 2018-11-30T17:24:01.935138
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C15H10N6O3

SMILES: O=C(O)c1ccccc1C(=O)Nc1nnc(-c2cccnc2)nn1

BIRTHDAY: 2018-12-02T16:07:09.897164
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C17H22F3NOS2

SMILES: CC(C)[C@H](CC(=O)Nc1ccc2c(c1)CSCCCS2)C(F)(F)F

BIRTHDAY: 2018-12-02T16:07:09.913933
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H37N

SMILES: C[C@H]1CCCCCNCCC[C@H](C)[C@]2(C=CC=CC2)[C@@H](C)C1

BIRTHDAY: 2018-12-02T16:07:09.920581
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H33N7O6

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

BIRTHDAY: 2018-12-02T16:07:09.950267
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C28H37FN2O2

SMILES: CC(C)[C@@H](CC(=O)N1CCC(C)(CCCc2cccc(C(N)=O)c2)CC1)c1cccc(F)c1

BIRTHDAY: 2018-12-02T16:07:09.959328
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C18H19ClF3N3OS

SMILES: CC[C@@H](C(=O)Nc1cccc(Sc2cncnc2C(F)(F)F)c1Cl)C(C)C

BIRTHDAY: 2018-12-02T16:07:09.968751
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H27F3N2O2S

SMILES: CC(C)[C@H](CC(=O)Nc1cccc(SC(F)(F)F)c1)c1ccccc1[C@@]1(C)COC=CN1

BIRTHDAY: 2018-12-02T16:07:10.015385
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C15H13ClN4O2S

SMILES: O=C(Nc1ccc(Sc2ccc(Cl)cc2)cc1)[C@@H]1N=C(O)NN1

BIRTHDAY: 2018-12-02T16:07:10.032595
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C24H25F3N2O2S

SMILES: COc1ccccc1Sc1ccc(-c2ccnc(N[C@@H](CO)C(C)C)c2)cc1C(F)(F)F

BIRTHDAY: 2018-12-02T16:07:10.042667
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C21H27N3O4S2

SMILES: CC(C)[C@H](CC(=O)Nc1ccccc1SC(C)(C)C)C(=O)Nc1nc(C(=O)O)cs1

BIRTHDAY: 2018-12-03T10:43:31.854619
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H28N2O2S

SMILES: Cc1cccc(C(=O)N[C@@H](C(=O)Nc2cccc(SC(C)C)c2)C(C)C)c1

BIRTHDAY: 2018-12-03T10:43:31.862835
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C19H37NO2

SMILES: CC(C)[C@]1(C(=O)O)NCCCCCCCCCCCC1(C)C

BIRTHDAY: 2018-12-03T10:43:31.908495
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C15H20N4O4

SMILES: CC(C)[C@@H](NC(=O)[C@@]12C=CN=CC1=CNC2)C(=O)NCC(=O)O

BIRTHDAY: 2018-12-03T10:43:31.935225
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis Plan
FORMULA:C24H25F3N4OS

SMILES: COc1ccccc1Sc1ccc(-c2ccnc(N[C@@H]3CCCC[C@H]3N)n2)cc1C(F)(F)F

BIRTHDAY: 2018-12-03T10:43:31.955540
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C19H13F3N2OS

SMILES: NC(=O)c1ccc(Sc2ccc(C(F)(F)F)c(-c3ccccn3)c2)cc1

BIRTHDAY: 2018-12-03T10:43:31.993262
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C19H13F3N2OS

SMILES: NC(=O)c1ccccc1Sc1ccc(-c2ccccn2)cc1C(F)(F)F

BIRTHDAY: 2018-12-03T10:43:32.011788
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C24H25F3N4OS

SMILES: COc1cccc(Sc2cccc(C(F)(F)F)c2-c2ncc(NC3(N)CCCCC3)cn2)c1

BIRTHDAY: 2018-12-03T10:43:32.022161
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H33NO

SMILES: CC(C)C1=C[C@@H](c2cccc(C(N)=O)c2)CCCCCCCCC1

BIRTHDAY: 2018-12-03T19:11:56.637064
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C15H11F3N2O2S

SMILES: NC(=O)[C@@]12C=CS[C@@]1(Oc1ccccc1C(F)(F)F)C=CC=N2

BIRTHDAY: 2018-12-03T19:11:56.656063
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:C24H35Cl2N5O3

SMILES: O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@@H]2CN3[C@@H](CCNCCNCCN2)CC[C@@H]3[C@@H]1C(=O)O

BIRTHDAY: 2018-12-03T19:11:56.666894
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C32H29NO5S

SMILES: O=C1CCOc2cccc(c2)CCNCc2cccc(c2-c2cccc(Sc3ccc(C(=O)O)cc3)c2)OC1

BIRTHDAY: 2018-12-03T19:11:56.752360
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C20H11F6NO2S

SMILES: O=C(O)c1cccc(Sc2cc(-c3ccccn3)ccc2C(F)(F)F)c1C(F)(F)F

BIRTHDAY: 2018-12-03T19:11:56.763182
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C21H18F3N3OS

SMILES: CNC(=O)c1cccc(Sc2cc(-c3cnccc3NC)cc(C(F)(F)F)c2)c1

BIRTHDAY: 2018-12-03T19:11:56.784302
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C27H34N2O5

SMILES: COc1ccc(NC(=O)[C@]2(c3ccc(OC)c(OC)c3)[C@@H]3O[C@@H](C)C[C@@H]4C[C@@H]2[C@H](C)CN43)cc1

BIRTHDAY: 2018-12-03T19:11:56.795647
ATC: G03D
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- PROGESTOGENS
Synthesis Plan
FORMULA:C24H22F3N5O4S

SMILES: NC(=O)c1ccc(Sc2cc3c(c(C(F)(F)F)c2)OCCCCCOc2cncc(n2)NC(=O)N3)cc1

BIRTHDAY: 2018-12-01T22:31:02.636587
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C19H18F3NO2S

SMILES: COc1ccc(S[C@]23C=C(C(F)(F)F)[C@@H]4[C@@H](C=CCCN4C2=O)C3)cc1

BIRTHDAY: 2018-12-01T22:31:02.646096
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H13F3N2OS

SMILES: NC(=O)c1cccc(Sc2cccc(C(F)(F)F)c2-c2ccccn2)c1

BIRTHDAY: 2018-12-01T22:31:02.655276
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H27F3N4O2S

SMILES: COc1cccc(Sc2cccc(C(F)(F)F)c2-c2cncnc2NC(C)(C)N2CCOCC2)c1

BIRTHDAY: 2018-12-01T22:31:02.677285
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H28N2O2S

SMILES: Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(SC(C)C)cc2)C(C)C)cc1

BIRTHDAY: 2018-12-01T22:31:02.685405
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C35H32F3N7O2S

SMILES: COc1cccc(Sc2cccc(C(F)(F)F)c2-c2cncc3c2N2CC[C@@H](C2)OC=C2CNCC(=N2)c2cccc4c2NN3[C@@H]4N)c1

BIRTHDAY: 2018-12-01T22:31:02.700941
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C28H37FN2O2

SMILES: CC(C)[C@H](CC(=O)N1CCC(C)(CCCc2cccc(C(N)=O)c2)CC1)c1cccc(F)c1

BIRTHDAY: 2018-12-01T22:31:02.728932
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C21H25NO3S2

SMILES: CC(C)Sc1ccccc1Sc1cccc(C(=O)N[C@@H](C(=O)O)C(C)C)c1

BIRTHDAY: 2018-12-01T22:31:02.737478
ATC: D03A
- DERMATOLOGICALS
- PREPARATIONS FOR TREATMENT OF WOUNDS AND ULCERS
- CICATRIZANTS
Synthesis Plan
FORMULA:C23H29N3O3S

SMILES: CC(C)Sc1ccc(NC(=O)C[C@@H](C(=O)Nc2cccc(C(N)=O)c2)C(C)C)cc1

BIRTHDAY: 2018-12-01T22:31:02.746775
ATC: P02B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTITREMATODALS
Synthesis Plan
FORMULA:C22H25F3N2O2

SMILES: Cc1cccc(C)c1C(=O)N[C@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C

BIRTHDAY: 2018-12-01T22:31:02.794688
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C27H39NO2S

SMILES: COc1ccc(C(C)(C)C)c(Sc2ccc([C@H](C)NC(=O)C(C)C)cc2C(C)(C)C)c1

BIRTHDAY: 2018-12-01T22:31:02.803189
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C19H13F3N2OS

SMILES: NC(=O)c1ccc(Sc2ccc(-c3ccccn3)cc2C(F)(F)F)cc1

BIRTHDAY: 2018-12-01T22:31:02.820685
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan