matter.farm

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

These compounds may interact with:

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform

Potentially involved in: lung cancer; cancer; ovarian cancer; klippel-trenaunay syndrome; head and neck squamous cell carcinoma; esophageal carcinoma; endometrial cancer; breast cancer; doid:2627; kidney cancer; carcinoma; liver cancer; large intestine cancer; upper respiratory tract disease; proteus syndrome; adenoma; endometriosis; abdominal pain; adenocarcinoma; angioid streaks

Disease data sourced from Pharos.

Inhibitor

FORMULA:C17H20F2N4O

SMILES: CN(C)C(C)(C)NC(=O)c1ccnc(-c2cccc(F)c2F)c1N

BIRTHDAY: 2018-12-01T14:11:45.840421
ATC: G03A
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C23H22FN5O2

SMILES: CCc1cnc(-c2c(F)cccc2C(=O)N(C)[C@@H](C)O)nc1C#Cc1cc(N)ccn1

BIRTHDAY: 2018-12-01T14:11:45.850229
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H22F3N5O

SMILES: CCc1ncc(Nc2ccccc2C(F)(F)F)c(-c2ccncc2N2CCOCC2)n1

BIRTHDAY: 2018-12-01T14:11:45.860591
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H28N8O2

SMILES: CN(C)CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1

BIRTHDAY: 2018-12-01T14:11:45.871560
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C22H22F3N5O

SMILES: CCc1nc(Nc2ccc(C(F)(F)F)cc2)ncc1-c1ccc(N2CCOCC2)nc1

BIRTHDAY: 2018-12-01T14:11:45.881525
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H30N10O3

SMILES: CN(C)CCCNC(=O)c1cnn(-c2nc(Nc3ccccc3C#N)c3ncn([C@H]4CC[C@@H](CO)O4)c3n2)c1

BIRTHDAY: 2018-12-01T14:11:45.894242
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H24N8O

SMILES: CNC(=O)c1cccc(CNc2nc(Nc3ccc(C#N)cc3)c3ncn(C(C)C)c3n2)c1

BIRTHDAY: 2018-12-01T14:11:45.904979
ATC: S01B
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C23H22F3N7

SMILES: CCc1ncc(Nc2ccccc2C(F)(F)F)c(-c2ccncc2N[C@@H](C)c2cc[nH]n2)n1

BIRTHDAY: 2018-12-01T14:11:45.916305
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H29N5O2

SMILES: CC(C)n1cnc(-c2cnc3n2C[C@@H]2C=CC=C[C@]2(OCC(C)(C)C)OC3)n1

BIRTHDAY: 2018-12-01T14:11:45.925399
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C22H24N8O3

SMILES: COc1ncc2c[n+]([O-])c(C)cc2c1Nc1ncc(C(C)(C)O)cc1-c1nc(C)nc(N)n1

BIRTHDAY: 2018-12-01T14:11:45.936614
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H28N6O2

SMILES: CC(C)n1cnc(-c2nc3c([nH]2)CO[C@@]2(OCC(C)(C)C)C=CC=C[C@H]2N3)n1

BIRTHDAY: 2018-12-01T14:11:45.946165
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C22H22F3N5O

SMILES: CCc1cnc(Nc2cccc(C(F)(F)F)c2)nc1-c1cccnc1N1CCOCC1

BIRTHDAY: 2018-12-01T14:11:45.969228
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C24H24FN5O2

SMILES: CCc1cnc(-c2c(F)cccc2C(=O)N(C)C(C)(C)O)nc1C#Cc1cc(N)ccn1

BIRTHDAY: 2018-12-01T14:11:45.979021
ATC: A14A
- ALIMENTARY TRACT AND METABOLISM
- ANABOLIC AGENTS FOR SYSTEMIC USE
- ANABOLIC STEROIDS
Synthesis Plan
FORMULA:C30H28FN5O2

SMILES: CCc1ncc(-c2c(F)cccc2C(=O)N(C)[C@@H](C)O)c(C#Cc2nccc3c2[C@H]2C[C@@H]4C=N[C@@H](C2)[C@@H]34)n1

BIRTHDAY: 2018-12-01T14:11:46.000904
ATC: D06B
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C25H31N3O2

SMILES: CCc1ncc2c(n1)COc1cccc(c1)CNC[C@@]1(C)C=CC=C[C@@]1(C)COC2

BIRTHDAY: 2018-12-25T02:03:47.562829
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C19H22N8O2S

SMILES: CC(C)n1cnc(-c2cn3c(n2)-c2cc(OC[C@H]4CSNN=N4)ccc2OCC3)n1

BIRTHDAY: 2018-12-25T02:03:47.573828
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C21H27N5O2

SMILES: CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(OCC(C)(C)C)cc1OCC2

BIRTHDAY: 2018-12-25T02:03:47.582915
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C22H18F3N3O4S

SMILES: O=C(c1nn(-c2ccccc2C(F)(F)F)c2c1-c1ccccc1CS2(=O)=O)N1CCOCC1

BIRTHDAY: 2018-12-25T02:03:47.594486
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:C18H20FN7O2

SMILES: COc1ccnc(Nc2c(C(C)(C)O)ccnc2-c2nc(C)nc(N)n2)c1F

BIRTHDAY: 2018-12-25T02:03:47.605899
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C23H22F3N7

SMILES: CCc1ncc(Nc2ccccc2C(F)(F)F)c(-c2ccncc2N[C@H](C)c2cc[nH]n2)n1

BIRTHDAY: 2018-12-25T02:03:47.617361
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H22F3N5O

SMILES: CCc1cnc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc(N2CCOCC2)nc1

BIRTHDAY: 2018-12-25T02:03:47.638952
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H20F3N5O2

SMILES: CN(C)C(C)(C)NC(=O)c1c(-c2ccncc2C#N)cncc1[C@@H](O)C(F)(F)F

BIRTHDAY: 2018-12-25T02:03:47.649727
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C13H17F3N8OS

SMILES: CC(C)n1cnc(-c2nc3c([nH]2)CO[C@H]2S[C@@H](C(F)(F)F)NN[C@H]2N3)n1

BIRTHDAY: 2018-12-25T02:03:47.671659
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C23H31N7O2

SMILES: CC(C)n1cnc(-c2nc3c([nH]2)CO[C@H]2C=CC=C(O[C@@]4(C)CC5CCN4CC5)[C@H]2N3)n1

BIRTHDAY: 2018-12-25T02:03:47.682547
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H30N4O

SMILES: CCc1nccc(-c2ccc3c(c2)C=CCCCCCCNCC(=O)N3C)n1

BIRTHDAY: 2018-12-25T02:03:47.701442
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H24Cl2N4O2

SMILES: CC(C)(C)Cc1cnc(C(=O)N2CCOCC2)nc1Nc1c(Cl)cccc1Cl

BIRTHDAY: 2018-12-03T02:39:53.846307
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C29H27N7O2

SMILES: CN(C)C(=O)c1ccccc1-c1nccc2cc3c(nc12)C(=O)N(c1ccccc1C(C)(C)C#N)[C@H](N)N3

BIRTHDAY: 2018-12-03T02:39:53.869469
ATC: M03B
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
Synthesis Plan
FORMULA:C22H22F3N5O

SMILES: CCc1cnc(Nc2cccc(C(F)(F)F)c2)nc1-c1cccc(N2CC[C@H](O)C2)n1

BIRTHDAY: 2018-12-03T02:39:53.880054
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H15F6N3O2

SMILES: CN(C)C(=O)c1ccc(CNC(=O)c2cnc(C(F)(F)F)cc2C(F)(F)F)cc1

BIRTHDAY: 2018-12-03T02:39:53.890066
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C26H28N8O2

SMILES: CNC(=O)c1ccncc1-c1ncccc1Nc1c(C)ncnc1-c1ncccc1NCC(C)(C)O

BIRTHDAY: 2018-12-03T02:39:53.911367
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H22F3N5O

SMILES: CNc1ncc(C(=O)Nc2cccc(C(F)(F)F)c2)c(-c2cccc(CN(C)C)c2)n1

BIRTHDAY: 2018-12-03T02:39:53.921493
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C18H22N8O

SMILES: COc1ccc(Nc2ncc(-c3nc(C)nc(N)n3)c(C(C)(C)C)n2)cn1

BIRTHDAY: 2018-12-03T02:39:53.931018
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C18H20N8OS

SMILES: COc1ccc(Nc2ncc3c(c2-c2nc(C)nc(N)n2)CSCCN3)cn1

BIRTHDAY: 2018-12-03T02:39:53.941490
ATC: A11D
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Synthesis Plan
FORMULA:C20H21N5O

SMILES: CCNc1cnccc1-c1nc(CC)ncc1Nc1cccc2c1CO2

BIRTHDAY: 2018-12-03T02:39:53.950434
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C27H26N6O2

SMILES: N#C[C@H]1CCN1C(=O)N1c2cccc(c2)[C@@H](C2CC2)COc2cccc(c2)CNc2ccnc1n2

BIRTHDAY: 2018-12-03T02:39:53.961461
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C16H17N7S

SMILES: Cc1nc(N[C@@H](C)c2[nH]cnc2C)c2ncn(-c3ccsc3)c2n1

BIRTHDAY: 2018-12-03T02:39:53.970569
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C26H22N4O4S

SMILES: O=C(c1nn(-c2ccccc2-c2ccccn2)c2c1C=C1C=CC=C[C@H]1S2(=O)=O)N1CCOCC1

BIRTHDAY: 2018-12-03T02:39:53.981896
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C22H15F6N3O2

SMILES: CNC(=O)c1ccnc(-c2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2)c1C(F)(F)F

BIRTHDAY: 2018-12-03T02:39:53.992862
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:C24H22FN7O

SMILES: CNc1c(C)ncnc1-c1ccc(Nc2ccccc2NC(=O)Nc2ccccc2F)cn1

BIRTHDAY: 2018-11-30T03:41:49.498565
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis plan pending
FORMULA:C18H20FN7O2

SMILES: COc1ccnc(Nc2ccnc(-c3nc(C)nc(N)n3)c2C(C)(C)O)c1F

BIRTHDAY: 2018-11-30T03:41:49.508627
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C21H18F4N4O

SMILES: CCc1ncc(-c2c(F)cccc2C(=O)NCc2ccccc2C(F)(F)F)c(N)n1

BIRTHDAY: 2018-11-30T03:41:49.528855
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis plan pending
FORMULA:C25H23N7O2S

SMILES: NC1=NC(=O)[C@@]2(C=CC=CN2c2ccncc2N2CCOCC2)Nc2cc(-c3ccccn3)sc21

BIRTHDAY: 2018-11-30T03:41:49.561656
ATC: V09X
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- OTHER DIAGNOSTIC RADIOPHARMACEUTICALS
Synthesis plan pending
FORMULA:C27H37FN8O

SMILES: CC(C)(Nc1nc(N2CCOCC2)nc2ncn([C@H]3CCCCN3C3(C)CCC3)c12)c1ccncc1F

BIRTHDAY: 2018-11-30T03:41:49.573467
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C24H24F3N3O2

SMILES: CNC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2C(F)(F)F)c(-c2ccc(OC)nc2)n1

BIRTHDAY: 2018-11-30T03:41:49.603162
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis plan pending
FORMULA:C23H22F3N5O2

SMILES: CNC(=O)c1cncc(-c2cc(C(=O)Nc3ccc(C(F)(F)F)cn3)cnc2C(C)(C)C)c1

BIRTHDAY: 2018-11-30T03:41:49.624117
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:C37H38FN7O4

SMILES: CCc1nc2c(c(-c3c(F)cccc3C(=O)N(C)C(C)(C)O)n1)Oc1cccc(c1)[C@@](C)(O)CNc1ccnc(n1)Nc1cccc(c1)C2

BIRTHDAY: 2018-11-30T03:41:49.641143
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis plan pending
FORMULA:C20H28N6O2

SMILES: CC(C)n1cnc(-c2nc3c([nH]2)CO[C@]2(OCC(C)(C)C)C=CC=C[C@@H]2N3)n1

BIRTHDAY: 2018-11-30T03:41:49.660304
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis plan pending
FORMULA:C21H28N4O4S

SMILES: CC1=C[C@@H]2OCNc3ccc(C)cc3[C@@]2(/C=N/N(C)S(=O)(=O)N2CCOCC2)C=C1

BIRTHDAY: 2018-11-19T08:11:46.220125
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis plan pending
FORMULA:C22H19N5O

SMILES: CN(C)C(=O)c1ccccc1-c1ccnc(-c2cc(-c3cccnc3)n[nH]2)c1

BIRTHDAY: 2018-11-19T08:11:46.229103
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis plan pending
FORMULA:C37H40N4

SMILES: C1=CCCCCCCCCC(c2cccc(Nc3ccnc(Cc4cccc5c4[nH]c4ccccc45)n3)c2)=CCC1

BIRTHDAY: 2018-11-19T08:11:46.239379
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis plan pending
FORMULA:C33H48N8O3S

SMILES: C1=C[C@]23NCCCCCCCCCOCCCC1=CC2=N[C@H](c1nc2nc(N4CCOCC4)nc(N4CCOCC4)c2[nH]1)CS3

BIRTHDAY: 2018-11-19T08:11:46.253327
ATC: S01B
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFLAMMATORY AGENTS
Synthesis plan pending
FORMULA:C22H31N9O3

SMILES: CN(C)C(C)(C)NC(=O)c1ccnn1-c1nc(N2CCOCC2)c2c(ncn2[C@@H]2CCCO2)n1

BIRTHDAY: 2018-11-19T08:11:46.265069
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis plan pending
FORMULA:C22H22F3N5O

SMILES: CCc1ncc(-c2ccncc2N2CCOCC2)c(Nc2ccccc2C(F)(F)F)n1

BIRTHDAY: 2018-11-19T08:11:46.275317
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis plan pending
FORMULA:C18H13F3N6

SMILES: CNc1c(C#N)ncnc1-c1ccncc1Nc1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:11:46.294616
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C14H17F6N3O2

SMILES: CN(C)C(C)(C)NC(=O)c1c([C@@H](O)C(F)(F)F)cncc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:11:46.304544
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C24H24N8O

SMILES: CNC(=O)c1cccc(CNc2nc(Nc3ccc(C#N)cc3)nc3c2ncn3C(C)C)c1

BIRTHDAY: 2018-11-19T08:11:46.315070
ATC: S01B
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFLAMMATORY AGENTS
Synthesis plan pending
FORMULA:C25H28N10O2

SMILES: CN(C)CCCNC(=O)c1cnn(-c2nc(Nc3cccc(C#N)c3)c3ncn([C@@H]4CCOC4)c3n2)c1

BIRTHDAY: 2018-11-19T08:11:46.338615
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis plan pending
FORMULA:C22H22F3N5O

SMILES: CCc1ncc(Nc2ccccc2C(F)(F)F)c(-c2ncccc2N2CCOCC2)n1

BIRTHDAY: 2018-11-19T08:11:46.349052
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C20H20N8

SMILES: Cc1c[nH]c([C@@H](C)Nc2nc(C)c3c(ncn3Cc3ccccc3C#N)n2)n1

BIRTHDAY: 2018-11-19T08:11:46.358765
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis plan pending
FORMULA:C22H18F3N3O4S

SMILES: O=C(c1c2c(nn1-c1ccccc1C(F)(F)F)C=C1C=CC=C[C@@H]1S2(=O)=O)N1CCOCC1

BIRTHDAY: 2018-11-19T08:11:46.370623
ATC: P02D
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTICESTODALS
Synthesis plan pending
FORMULA:C20H28N6O2

SMILES: CC(C)n1cnc(-c2nc3c([nH]2)CO[C@]2(OCC(C)(C)C)C=CC=C[C@H]2N3)n1

BIRTHDAY: 2018-11-19T08:11:46.380226
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis plan pending
FORMULA:C25H24N8

SMILES: Cc1nc(N[C@@H](C)c2nc(C)c3c(C)cccn23)c2c(ncn2Cc2ccc(C#N)cc2)n1

BIRTHDAY: 2018-11-19T08:11:46.390606
ATC: N01B
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, LOCAL
Synthesis plan pending
FORMULA:C17H21N7O3

SMILES: CC(C)n1cnc(-c2nc3c([nH]2)CO[C@@]2(OCC(N)=O)C=CC=C[C@H]2N3)n1

BIRTHDAY: 2018-11-19T08:11:46.409750
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C38H37F3N6O3

SMILES: CC(C)c1cc2nc(n1)Nc1cccc(c1)CO[C@@]1(C=CCCOc3cc-2ccn3)[C@H](C#N)c2c(cccc2C(F)(F)F)N1[C@@H]1CCCCO1

BIRTHDAY: 2018-11-19T08:11:46.426883
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C19H21N7O

SMILES: Cc1cc(-c2cccnc2NC(=O)c2cccnc2N)nc(NC(C)C)n1

BIRTHDAY: 2018-11-19T08:11:46.436313
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C22H18F3N3O4S

SMILES: O=C(c1nn(-c2cccc(C(F)(F)F)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1

BIRTHDAY: 2018-11-19T08:11:46.447946
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:C26H22N4O4S

SMILES: O=C(c1c2c(nn1-c1ccccc1-c1ccccn1)C=C1C=CC=C[C@H]1S2(=O)=O)N1CCOCC1

BIRTHDAY: 2018-11-19T08:11:46.459924
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis plan pending
FORMULA:C37H35N7O2

SMILES: COc1ccnc(Nc2cc(-c3nc(C)nc(N)n3)nc3cc4cc(c23)Oc2ccc(cc2)CCCCc2ccc(cc2)CC4)c1

BIRTHDAY: 2018-11-19T08:11:46.473500
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C14H14FN7O

SMILES: C[C@]12N=C[C@](c3cccc(F)c3)(c3ccc(=O)[nH]n3)N1NNN2

BIRTHDAY: 2018-11-19T08:11:46.483053
ATC: D05B
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR SYSTEMIC USE
Synthesis plan pending
FORMULA:C18H15F3N4

SMILES: CCc1cnc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccccn1

BIRTHDAY: 2018-11-19T08:11:46.491712
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C23H22FN5O2

SMILES: CCc1ncnc(-c2ccc(C(=O)N(C)CCO)c(F)c2)c1C#Cc1cncc(N)c1

BIRTHDAY: 2018-11-19T08:11:46.501880
ATC: C04A
- CARDIOVASCULAR SYSTEM
- PERIPHERAL VASODILATORS
- PERIPHERAL VASODILATORS
Synthesis plan pending
FORMULA:C18H20FN7O2

SMILES: COc1cc(F)nc(Nc2c(C(C)(C)O)ccnc2-c2nc(C)nc(N)n2)c1

BIRTHDAY: 2018-11-19T08:11:46.512003
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C18H22N8O

SMILES: COc1ccnc(Nc2c(-c3nc(C)nc(N)n3)ncnc2C(C)(C)C)c1

BIRTHDAY: 2018-11-19T08:11:46.521911
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis plan pending
FORMULA:C16H17N7S

SMILES: Cc1[nH]cnc1[C@@H](C)Nc1nc(C)c2c(ncn2-c2cccs2)n1

BIRTHDAY: 2018-11-19T08:11:46.531109
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis plan pending
FORMULA:C25H31N5O

SMILES: CCc1ncc(Nc2ccccc2C(C)(C)C)c(-c2ncccc2N2CCOCC2)n1

BIRTHDAY: 2018-11-19T08:11:46.550520
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C23H31FN6O3

SMILES: O=C(c1cnc(NCCCN2CCOCC2)nc1NCc1ccc(F)cc1)N1CCOCC1

BIRTHDAY: 2018-11-19T08:11:46.561101
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C26H22N4O4S

SMILES: O=C(c1c2c(nn1-c1ccc(-c3ccccn3)cc1)C=C1C=CC=C[C@@H]1S2(=O)=O)N1CCOCC1

BIRTHDAY: 2018-11-19T08:11:46.572579
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:C18H20FN7O2

SMILES: COc1ccnc(Nc2cc(-c3nc(C)nc(N)n3)ncc2C(C)(C)O)c1F

BIRTHDAY: 2018-11-19T08:11:46.583048
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C20H20N8O4

SMILES: COc1nc2ocnc(=O)c2cc1Nc1ncc(C(C)(C)O)cc1-c1nc(C)nc(N)n1

BIRTHDAY: 2018-11-19T08:11:46.594622
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C17H20F2N4O

SMILES: CN(C)C(C)(C)NC(=O)c1ccc(N)nc1-c1cc(F)ccc1F

BIRTHDAY: 2018-11-19T08:11:46.613712
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis plan pending
FORMULA:C22H17F2N5O2S

SMILES: CNC(=O)c1cc([C@H]2C(=O)N=C(c3ccc(N)nc3)S[C@@H]2c2c(F)cccc2F)ccn1

BIRTHDAY: 2018-11-19T08:11:46.625707
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:C25H27FN6O

SMILES: CCc1cnc(-c2c(F)cccc2C(=O)N(C)[C@@H](C)N(C)C)nc1C#Cc1ncccc1N

BIRTHDAY: 2018-11-19T08:11:46.636063
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C22H26F3N3O2

SMILES: CNC(=O)c1cc(-c2ccc(C(C)(C)C)c(C(F)(F)F)c2)nc(N2CCOCC2)c1

BIRTHDAY: 2018-11-19T08:11:46.646340
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis plan pending
FORMULA:C14H17F6N3O2

SMILES: CN(C)CCCNC(=O)c1ccc([C@H](O)C(F)(F)F)c(C(F)(F)F)n1

BIRTHDAY: 2018-11-19T08:11:46.665665
ATC: C02B
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, GANGLION-BLOCKING
Synthesis plan pending
FORMULA:C21H29N3O3

SMILES: COc1ccc2c(n1)OC[C@@H](C)Cc1nc(C)[nH]c1CC[C@H](O)CC(C)=C2

BIRTHDAY: 2018-11-19T08:11:46.674400
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis plan pending
FORMULA:C30H44FN7O

SMILES: Cc1nc(N[C@@H](C)c2ccccc2F)c2[nH]c(N3CCCCCCCCCCC(=O)C(C)(C)NCC3)nc2n1

BIRTHDAY: 2018-11-19T08:11:46.695617
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C21H17F3N6O

SMILES: CNC(=O)c1ccccc1CNc1nc(Nc2cccc(C#N)c2)ncc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:11:46.706192
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:C36H32N8O2S

SMILES: Cc1nc(N[C@H](C)c2nc3cc(n2)-c2cccc(c2)OCCCCOc2cccc(c2)S3)nc2c1ncn2Cc1ccc(C#N)cc1

BIRTHDAY: 2018-11-19T08:11:46.720167
ATC: H01A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis plan pending
FORMULA:C25H27FN6O

SMILES: CCc1cnc(-c2c(F)cccc2C(=O)N(C)[C@H](C)N(C)C)nc1C#Cc1ncccc1N

BIRTHDAY: 2018-11-19T08:11:46.730503
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C18H20FN7O2

SMILES: COc1ccnc(Nc2c(-c3nc(C)nc(N)n3)cncc2C(C)(C)O)c1F

BIRTHDAY: 2018-11-19T08:11:46.741617
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C18H20FN7O2

SMILES: COc1ccc(F)nc1Nc1cc(C(C)(C)O)cnc1-c1nc(C)nc(N)n1

BIRTHDAY: 2018-11-19T08:11:46.752179
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis plan pending
FORMULA:C23H20FN7O

SMILES: CNc1cncnc1-c1ccc(Nc2cccc(NC(=O)Nc3ccccc3F)c2)cn1

BIRTHDAY: 2018-11-19T08:11:46.773990
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C20H24Cl2N4O2

SMILES: CCCCCc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(=O)N1CCOCC1

BIRTHDAY: 2018-11-19T08:11:46.783352
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C20H27N9

SMILES: CCc1ncc(Nc2nc(N)c[nH]2)c(-c2ccncc2N2CCC[C@@H]2N(C)C)n1

BIRTHDAY: 2018-11-19T08:11:46.793553
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis plan pending
FORMULA:C20H20Cl2N4

SMILES: CC(C)(C)Cc1ncc(Nc2c(Cl)cccc2Cl)c(-c2ccncc2)n1

BIRTHDAY: 2018-11-19T08:11:46.802976
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C20H20N8

SMILES: Cc1nc(N[C@@H](C)c2nc[nH]c2C)c2c(ncn2Cc2ccc(C#N)cc2)n1

BIRTHDAY: 2018-11-19T08:11:46.812626
ATC: R02A
- RESPIRATORY SYSTEM
- THROAT PREPARATIONS
- THROAT PREPARATIONS
Synthesis plan pending
FORMULA:C20H26N10O2

SMILES: CC(C)n1cnc(-c2nc3c([nH]2)CO[C@@]2(O[C@@]4(N(C)C)C=NC=NN4)C=CC=C[C@@H]2N3)n1

BIRTHDAY: 2018-11-19T08:11:46.824898
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C27H25FN4O

SMILES: CC1=C[C@@]2(NC(=O)c3ccc(-c4ccccn4)cc3)N=C(C)[C@@H]3C(F)=CC=C[C@@H]3N[C@@H]2C=C1

BIRTHDAY: 2018-11-19T08:11:46.834963
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis plan pending
FORMULA:C29H31F3N8OS

SMILES: CCc1ncc([C@H]2c3cccc4c3SN2CCNCCOC=C2N=C4CN[C@H]2N)c(Nc2cccc(C(F)(F)F)c2)n1

BIRTHDAY: 2018-11-30T17:24:10.973967
ATC: C02C
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis Plan
FORMULA:C19H23N7O2

SMILES: Nc1ccccc1-c1nc2nc(N3CCOCC3)nc(N3CCOCC3)c2[nH]1

BIRTHDAY: 2018-11-30T17:24:10.983854
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C29H32FN5O6

SMILES: CCc1ncnc(C#C[C@@]23CCOCO[C@@]45CC(=O)[C@@H]2O[C@](N)(CN4)[C@@H]35)c1-c1c(F)cccc1C(=O)N(C)[C@H](C)O

BIRTHDAY: 2018-11-30T17:24:10.997007
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C29H31N5O2

SMILES: CNC(=O)c1cccc(-c2cc(-c3ccc(OCCN4C=CCCCCC4)cc3)nc(N)c2C#N)c1

BIRTHDAY: 2018-11-30T17:24:11.036998
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C22H22F3N5O

SMILES: CCc1ncnc(Nc2ccccc2C(F)(F)F)c1-c1cncc(N2CCOCC2)c1

BIRTHDAY: 2018-11-30T17:24:11.047129
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C30H30FN5O3

SMILES: CCc1cc(-c2ccc(C(=O)N(C)CCO)c(F)c2)nc(C#Cc2cnc3c(c2)O[C@@H]2C[C@H]4CCN2[C@H]3C4)n1

BIRTHDAY: 2018-11-30T17:24:11.058920
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C31H38N8O4

SMILES: CNC(=O)Nc1ccccc1-c1nc(N2CCOCC2)c2c(cnn2[C@@]2(C)CCCCOCCCOc3cncc2c3)n1

BIRTHDAY: 2018-11-30T17:24:11.094802
ATC: H02A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
Synthesis Plan
FORMULA:C16H20N5O3PS

SMILES: COc1ccncc1N[C@H]1POC=N[C@@]1(C)C(=O)Nc1nc(C)sc1C

BIRTHDAY: 2018-11-30T17:24:11.104431
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H18F3N3O4S

SMILES: O=C(c1c2c(nn1-c1ccc(C(F)(F)F)cc1)C=C1C=CC=C[C@@H]1S2(=O)=O)N1CCOCC1

BIRTHDAY: 2018-11-30T17:24:11.115880
ATC: P02D
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTICESTODALS
Synthesis Plan
FORMULA:C19H20F3N7O2

SMILES: CNC(=O)Nc1ccccc1-c1nc(N2CCOCC2)c2c(cnn2CC(F)(F)F)n1

BIRTHDAY: 2018-12-02T16:07:19.585223
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C19H25N5OS

SMILES: Cc1nc(NC(=O)CC(C)(C)C)sc1-c1ncnc(C(C)(C)C)c1C#N

BIRTHDAY: 2018-12-02T16:07:19.605592
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C15H14F3N5O

SMILES: CCc1nc(Nc2ccc(C(F)(F)F)cc2)ncc1[C@@H]1NNC1=O

BIRTHDAY: 2018-12-02T16:07:19.635433
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C31H31N7O2

SMILES: CCc1cncnc1Nc1cccc2c1cc1c3cc(ccc32)Oc2cccc(c2)CN[C@H](N)C(=O)NCCN1

BIRTHDAY: 2018-12-02T16:07:19.647517
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H25FN6O2

SMILES: Cc1cnc(NCC2CCOCC2)nc1-c1ccc(NC(=O)Nc2ccc(F)cc2)nc1

BIRTHDAY: 2018-12-02T16:07:19.657845
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C18H14F2N6OS

SMILES: CCc1cc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)nc(C#N)n1

BIRTHDAY: 2018-12-02T16:07:19.668171
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C23H22F3N7

SMILES: CCc1cnc(Nc2cccc(C(F)(F)F)c2)nc1-c1cccnc1NCCc1cn[nH]c1

BIRTHDAY: 2018-12-02T16:07:19.712351
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H19F3N6O2

SMILES: O=C(Nc1ccccn1)Nc1ccccc1-c1c(N2CCOCC2)ncnc1C(F)(F)F

BIRTHDAY: 2018-12-02T16:07:19.734293
ATC: S01L
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OCULAR VASCULAR DISORDER AGENTS
Synthesis Plan
FORMULA:C28H33N3O2

SMILES: CC(C)c1c(C(=O)N(C)C)ccnc1-c1ccccc1C(=O)Nc1ccccc1C(C)(C)C

BIRTHDAY: 2018-12-03T10:43:41.032035
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C15H13F3N8O

SMILES: COc1ccc(Nc2ncc(C(F)(F)F)c(-c3nc(C)nc(N)n3)n2)cn1

BIRTHDAY: 2018-12-03T10:43:41.042647
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C22H24N8O

SMILES: COc1ccc(Nc2ncc(C3=C[C@H]4CC[C@@H](C3)N4)cc2-c2nc(C)nc(N)n2)cn1

BIRTHDAY: 2018-12-03T10:43:41.064109
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H27N5O3

SMILES: CN(C)CCOc1ccccc1-c1nc(C#N)cc(-c2cccc(C(=O)NCCO)c2)c1N

BIRTHDAY: 2018-12-03T10:43:41.074178
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C27H29N5O3

SMILES: COc1ccccc1-c1cnc(C#N)c(N)c1-c1ccccc1C(=O)NC(C)(C)N1CCOCC1

BIRTHDAY: 2018-12-03T10:43:41.085569
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H19N7S

SMILES: Cc1nc(N[C@@H](C)c2ncc(-c3ccccc3)[nH]2)c2ncn(-c3ccsc3)c2n1

BIRTHDAY: 2018-12-03T10:43:41.119007
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C23H22FN5O2

SMILES: CCc1ncc(C#Cc2ccncc2N)c(-c2ccc(C(=O)N(C)[C@H](C)O)c(F)c2)n1

BIRTHDAY: 2018-12-03T10:43:41.138511
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C27H30N6O2

SMILES: CC(=O)Nc1cncc(-c2ccc3c(c2)[C@@H]2CCN3Cc3c(CCN4CCOCC4)ncnc32)c1

BIRTHDAY: 2018-12-03T19:12:05.792532
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H21F3N6O

SMILES: CCc1cc(-c2ccc(-n3ccnc3)c(C(=O)NCc3cccc(C(F)(F)F)c3)c2)nc(N)n1

BIRTHDAY: 2018-12-03T19:12:05.816609
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C23H26N4O2S

SMILES: CCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1

BIRTHDAY: 2018-12-03T19:12:05.836237
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C22H18F3N3O4S

SMILES: O=C(c1c2c(nn1-c1ccccc1C(F)(F)F)C=C1C=CC=C[C@H]1S2(=O)=O)N1CCOCC1

BIRTHDAY: 2018-12-03T19:12:05.848202
ATC: P02D
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTICESTODALS
Synthesis Plan
FORMULA:C27H29ClN6O

SMILES: CCc1cnc(N2CCCC[C@@H]2C(=O)N[C@@H](C)c2ccccc2Cl)nc1C#Cc1ncccc1N

BIRTHDAY: 2018-12-03T19:12:05.858837
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C22H23Cl2N3O2

SMILES: Cc1cc(-c2c(Cl)cccc2Cl)n2cc(C(=O)NCCCN(C)C)c(=O)cc2c1

BIRTHDAY: 2018-12-03T19:12:05.867987
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C19H18Cl2N4

SMILES: CCCCc1cnc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccccn1

BIRTHDAY: 2018-12-03T19:12:05.876478
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C30H31N5O2

SMILES: CN(C)C(=O)c1ccc(-c2ccc3ncc4c(c3n2)N(c2ccc(C(C)(C)C)cc2)C(=O)N(C)C4)cc1

BIRTHDAY: 2018-12-03T19:12:05.897322
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C18H13F3N6

SMILES: CNc1c(C#N)ncnc1-c1ccc(Nc2ccccc2C(F)(F)F)cn1

BIRTHDAY: 2018-12-03T19:12:05.917204
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis Plan
FORMULA:C18H20N6

SMILES: Cc1cccc(C)c1-c1nc(-c2ncc3n2[CH+][N-]C3)nn1C(C)C

BIRTHDAY: 2018-12-03T19:12:05.926718
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C20H20N8

SMILES: Cc1nc(N[C@@H](C)c2[nH]cnc2C)c2ncn(Cc3ccccc3C#N)c2n1

BIRTHDAY: 2018-12-03T19:12:05.936369
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H17N7O

SMILES: N#Cc1ccc(Nc2nc(N3CCOCC3)nc3c2nc2ccccn23)cc1

BIRTHDAY: 2018-12-01T22:31:11.843467
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C20H17N7OS

SMILES: N#Cc1cccc(Nc2nc(N3CCOCC3)nc3c2ncn3-c2cccs2)c1

BIRTHDAY: 2018-12-01T22:31:11.883801
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C19H18Cl2N4

SMILES: CCCCc1c(Nc2ccc(Cl)c(Cl)c2)ncnc1-c1ccccn1

BIRTHDAY: 2018-12-01T22:31:11.904068
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C22H27F3N4O2

SMILES: CN(C)CCCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCOCC2)c1

BIRTHDAY: 2018-12-01T22:31:11.914562
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C21H29N5O2

SMILES: CC(C)n1cnc(-c2cnc3n2[C@@H]2C=CC=C[C@]2(OCC(C)(C)C)COC3)n1

BIRTHDAY: 2018-12-01T22:31:11.961992
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C19H15F3N6

SMILES: Nc1cncnc1-c1ccnc2c1C[C@@H](Nc1ccccc1C(F)(F)F)N=C2

BIRTHDAY: 2018-12-01T22:31:11.972357
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:C20H20N8

SMILES: CNc1cncnc1-c1ncccc1Nc1ccccc1-n1nc(C)nc1C

BIRTHDAY: 2018-12-01T22:31:11.982394
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H29N5

SMILES: CC(C)n1ncnc1-c1nc2c([nH]1)CC[C@@H](C)CCC[C@@H](C)C2

BIRTHDAY: 2018-12-01T22:31:11.990530
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan