matter.farm

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

These compounds may interact with:

Dual specificity protein kinase TTK

Potentially involved in: kidney cancer; carcinoma; cancer; chronic polyneuropathy; aplastic anemia; polycystic ovary syndrome; adrenocortical carcinoma; adult high grade glioma; astrocytoma, pilocytic; atopic dermatitis; atypical teratoid / rhabdoid tumor; breast cancer; breast carcinoma; colon cancer; ductal carcinoma in situ; endometriosis; ependymoma; esophageal adenocarcinoma; glioblastoma; group 3 medulloblastoma

Disease data sourced from Pharos.

Inhibitor

FORMULA:C26H27ClN2O3S

SMILES: COc1ccc2c(c1)C[C@H]1C[C@H]2[C@H](C(C)C)O[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1

BIRTHDAY: 2018-12-01T14:10:45.358029
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C22H28N8O

SMILES: COc1cccc(Nc2ncc3c(n2)C[C@@H](NCC(C)(C)C)C=N3)c1-c1n[nH]cc1N

BIRTHDAY: 2018-12-01T14:10:45.368099
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H28N8O

SMILES: COc1cccc(Nc2ncc3c(n2)C[C@H](NCC(C)(C)C)C=N3)c1-c1n[nH]cc1N

BIRTHDAY: 2018-12-01T14:10:45.378159
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H33N7O

SMILES: CC(C)n1cnc2c(Nc3ccc(C(C)(C)O)cc3)nc(N[C@@H]3CCCC[C@@H]3N)nc21

BIRTHDAY: 2018-12-01T14:10:45.388019
ATC: H01C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- HYPOTHALAMIC HORMONES
Synthesis Plan
FORMULA:C21H28N4O2

SMILES: CC(C)c1cccc(Nc2nc(NC3CCCC3)c3c(n2)OCOCC3)c1

BIRTHDAY: 2018-12-01T14:10:45.396501
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C32H46N4O4

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)COC(=O)c1ccncc1-c1noc(-c2ccccc2O)n1

BIRTHDAY: 2018-12-01T14:10:45.407607
ATC: G03H
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANTIANDROGENS
Synthesis Plan
FORMULA:C25H35N7

SMILES: CC(C)c1cccc(Nc2nc(NC3(N)CCCCC3)nc3ncn(C4CCCC4)c23)c1

BIRTHDAY: 2018-12-01T14:10:45.417321
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H27F3N4

SMILES: CC(C)c1ccccc1Nc1c(Nc2cccc(C(C)(C)C)c2)ncnc1C(F)(F)F

BIRTHDAY: 2018-12-01T14:10:45.426909
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H35N7

SMILES: CC(C)c1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nc3c2ncn3C2CCCC2)cc1

BIRTHDAY: 2018-12-01T14:10:45.436695
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C31H45N11

SMILES: CC(C)c1ccc(Nc2nc(N[C@H]3CCCC[C@@H]3N)c3nc4c5c(nnn4c3n2)CCCNCCNCCCC5)cc1

BIRTHDAY: 2018-12-01T14:10:45.449386
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H29N7O

SMILES: COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2c(n1)N=C[C@@H](NCC(C)(C)C)C2

BIRTHDAY: 2018-12-01T14:10:45.459086
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H30F3N7O

SMILES: CC(C)n1cnc2c(Nc3ccc([C@](C)(O)C(F)(F)F)cc3)nc(N[C@@H]3CCCC[C@H]3N)nc21

BIRTHDAY: 2018-12-01T14:10:45.491448
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C22H28N8O

SMILES: COc1cccc(Nc2ncnc3c2N=C[C@H](NCC(C)(C)C)C3)c1-c1cc(N)[nH]n1

BIRTHDAY: 2018-12-01T14:10:45.501778
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H27F3N4

SMILES: CC(C)c1cccc(Nc2c(Nc3ccccc3C(C)(C)C)ncnc2C(F)(F)F)c1

BIRTHDAY: 2018-12-01T14:10:45.512426
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H19F2N5O

SMILES: Fc1cc(F)cc(Nc2cncnc2Nc2ccccc2N2CCOCC2)c1

BIRTHDAY: 2018-12-01T14:10:45.522337
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H30FN3

SMILES: CC(C)c1cccc2c1CN[C@]1(C)NC=N[C@@]1(c1ccccc1F)C=CCCC2

BIRTHDAY: 2018-12-25T02:02:48.156946
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C19H21F3N6O

SMILES: COc1cccc(Nc2nc(NC3CC3)nc3ncn(C(C)C)c23)c1C(F)(F)F

BIRTHDAY: 2018-12-25T02:02:48.167281
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C33H50N4O3

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)COC(=O)c1ccccc1NC(=O)c1ccccc1C(=N)N

BIRTHDAY: 2018-12-25T02:02:48.177986
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C22H26N8O

SMILES: COc1ccc(Nc2ncc3cncc(NCC(C)(C)C)c3n2)c(-c2[nH]ncc2N)c1

BIRTHDAY: 2018-12-25T02:02:48.188458
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H35N7

SMILES: CC(C)c1ccccc1Nc1nc(NC2(N)CCCCC2)c2c(ncn2C2CCCC2)n1

BIRTHDAY: 2018-12-25T02:02:48.198320
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C25H35N7

SMILES: CC(C)c1ccc(Nc2nc(NC3CCC(N)CC3)nc3c2ncn3C2CCCC2)cc1

BIRTHDAY: 2018-12-25T02:02:48.238851
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C22H28N8O

SMILES: COc1cccc(Nc2ncnc3c2N=C[C@H](NCC(C)(C)C)C3)c1-c1n[nH]cc1N

BIRTHDAY: 2018-12-25T02:02:48.249379
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H28N6O2

SMILES: COc1ccc(Nc2ncc3ccnc(NC[C@]4(C)CCNCCCO4)c3n2)cc1

BIRTHDAY: 2018-12-25T02:02:48.259782
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C23H24N4O2

SMILES: CO[C@@H]1NCC=CCOCc2cccc(c2)-c2ccnc(n2)Nc2cccc1c2

BIRTHDAY: 2018-12-25T02:02:48.279074
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H27NO5

SMILES: COC(=O)c1ccc2c(c1)OCC(=O)Nc1cc(C(C)C)ccc1OC[C@@H](C)C2

BIRTHDAY: 2018-12-25T02:02:48.308837
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C23H27N7O

SMILES: COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2c(NCC(C)(C)C)nccc2n1

BIRTHDAY: 2018-12-25T02:02:48.328559
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H33N7O

SMILES: CC(C)n1cnc2nc(Nc3cccc(C(C)(C)O)c3)nc(NC3(N)CCCCC3)c21

BIRTHDAY: 2018-12-03T02:38:52.173176
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C24H27F3N4

SMILES: CC(C)c1ccccc1Nc1nc(Nc2ccc(C(C)(C)C)cc2)ncc1C(F)(F)F

BIRTHDAY: 2018-12-03T02:38:52.183227
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H25F3N4

SMILES: CC(C)c1ccccc1Nc1ncc(C(F)(F)F)c(Nc2ccccc2C(C)C)n1

BIRTHDAY: 2018-12-03T02:38:52.193084
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C35H56N2O2

SMILES: CN(C)CCCCCCCCCCCCCCCCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1

BIRTHDAY: 2018-12-03T02:38:52.202203
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C37H42N6O

SMILES: CC(C)c1ccccc1Nc1cnc(Nc2cccc3c2CN2C=C(CC2)CCN(C2CC2)Cc2cccc(c2)OC3)nc1

BIRTHDAY: 2018-12-03T02:38:52.214160
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H18FN7OS2

SMILES: COc1ccc(Nc2ncc3c(n2)[C@]2(C)N=C(c4nccs4)N[C@]2(C)SN3)cc1F

BIRTHDAY: 2018-12-03T02:38:52.225517
ATC: N06D
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTI-DEMENTIA DRUGS
Synthesis Plan
FORMULA:C22H24ClN5O

SMILES: CC(C)c1ccccc1Nc1c(Cl)ncnc1Nc1ccccc1C(=O)N(C)C

BIRTHDAY: 2018-12-03T02:38:52.236506
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C22H28N8O

SMILES: COc1cccc(Nc2ncnc3c2N=C[C@@H](NCC(C)(C)C)C3)c1-c1n[nH]cc1N

BIRTHDAY: 2018-12-03T02:38:52.247601
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H35N7

SMILES: CC(C)c1ccc(Nc2nc(N[C@H]3CCCC[C@@H]3N)nc3c2ncn3C2CCCC2)cc1

BIRTHDAY: 2018-12-03T02:38:52.257646
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C27H35N7O3

SMILES: COc1cc2c(cc1Nc1ncnc3c(NCC(C)(C)C)nccc13)CCN2C(=O)NC1CCOCC1

BIRTHDAY: 2018-12-03T02:38:52.279092
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C19H18F3N5O2S

SMILES: C[C@@H](NS(C)(=O)=O)c1ccccc1Nc1c(F)ncnc1Nc1cc(F)cc(F)c1

BIRTHDAY: 2018-12-03T02:38:52.289920
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H35N7

SMILES: CC(C)c1ccccc1Nc1nc(NC2(N)CCCCC2)nc2ncn(C3CCCC3)c12

BIRTHDAY: 2018-12-03T02:38:52.310103
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C19H21F3N6O

SMILES: COc1cc(C(F)(F)F)ccc1Nc1nc(NC2CC2)c2ncn(C(C)C)c2n1

BIRTHDAY: 2018-12-03T02:38:52.330223
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H27F3N4

SMILES: CC(C)c1cccc(Nc2nc(Nc3ccc(C(C)(C)C)cc3)ncc2C(F)(F)F)c1

BIRTHDAY: 2018-12-03T02:38:52.350253
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H35N7

SMILES: CC(C)c1cccc(Nc2nc(NC3CCC(N)CC3)nc3c2ncn3C2CCCC2)c1

BIRTHDAY: 2018-11-30T03:40:49.172051
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C23H33N7O

SMILES: CC(C)n1cnc2nc(NC3(N)CCCCC3)nc(Nc3cccc(C(C)(C)O)c3)c21

BIRTHDAY: 2018-11-30T03:40:49.181860
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H35N7

SMILES: CC(C)c1cccc(Nc2nc(N[C@@H]3CCCC[C@H]3N)c3ncn(C4CCCC4)c3n2)c1

BIRTHDAY: 2018-11-30T03:40:49.221834
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C25H35N7

SMILES: CC(C)c1cccc(Nc2nc(NC3(N)CCCCC3)c3c(ncn3C3CCCC3)n2)c1

BIRTHDAY: 2018-11-30T03:40:49.231561
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H27ClN4

SMILES: CC(C)c1ccccc1Nc1ncnc(Cl)c1Nc1ccccc1C(C)(C)C

BIRTHDAY: 2018-11-30T03:40:49.261150
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C22H26N8O

SMILES: COc1ccc(-c2n[nH]cc2N)c(Nc2ncc3cncc(NCC(C)(C)C)c3n2)c1

BIRTHDAY: 2018-11-30T03:40:49.283585
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H28N8O

SMILES: COc1cccc(-c2n[nH]cc2N)c1Nc1ncnc2c1N=C[C@@H](NCC(C)(C)C)C2

BIRTHDAY: 2018-11-30T03:40:49.293843
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C30H40N8O4

SMILES: CN1CCCC[C@H](O)CC=C2O[C@H](n3cnc4cnc(Nc5cccc6c5[C@@H]5NC[C@H](O6)[C@@H]5O)nc43)C[C@@H]2CNCC1

BIRTHDAY: 2018-11-30T03:40:49.317009
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H28N8O

SMILES: COc1cccc(Nc2ncc3c(n2)C[C@H](NCC(C)(C)C)C=N3)c1-c1[nH]ncc1N

BIRTHDAY: 2018-11-19T08:15:37.105703
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H28N8O

SMILES: COc1ccc(-c2n[nH]cc2N)c(Nc2ncc3c(n2)C[C@H](NCC(C)(C)C)C=N3)c1

BIRTHDAY: 2018-11-19T08:15:37.116262
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C25H35N7

SMILES: CC(C)c1ccc(Nc2nc(N[C@@H]3CCCC[C@H]3N)nc3c2ncn3C2CCCC2)cc1

BIRTHDAY: 2018-11-19T08:15:37.126349
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C24H28Cl2N2O4

SMILES: O=C1CCCCCCCCOc2ccc(c(O)c2)C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)N1

BIRTHDAY: 2018-11-19T08:15:37.136458
ATC: C02C
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis Plan
FORMULA:C19H21F3N6O

SMILES: COc1ccc(C(F)(F)F)cc1Nc1nc(NC2CC2)c2ncn(C(C)C)c2n1

BIRTHDAY: 2018-11-19T08:15:37.166842
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C29H38N4S

SMILES: CC(C)c1ccccc1Nc1c(Nc2ccccc2C(C)(C)C)ncnc1[C@@]1(C)CCCCS1

BIRTHDAY: 2018-11-19T08:15:37.187136
ATC: A14A
- ALIMENTARY TRACT AND METABOLISM
- ANABOLIC AGENTS FOR SYSTEMIC USE
- ANABOLIC STEROIDS
Synthesis Plan
FORMULA:C24H28N6

SMILES: CCc1ccc(Nc2nc(N[C@@H](C)c3ccccc3)c3ncn(C(C)C)c3n2)cc1

BIRTHDAY: 2018-11-19T08:15:37.196897
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:C21H27N7O2

SMILES: COc1cccc(C(=O)N(C)C)c1Nc1nc(NC2CC2)c2c(ncn2C(C)C)n1

BIRTHDAY: 2018-11-19T08:15:37.207361
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H26O5

SMILES: CC(C)c1cccc2c1OCCOCCOCCOCCO2

BIRTHDAY: 2018-11-19T08:15:37.246025
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis Plan
FORMULA:C23H30F3N7O

SMILES: CC(C)n1cnc2nc(Nc3cccc([C@@](C)(O)C(F)(F)F)c3)nc(NC3(N)CCCCC3)c21

BIRTHDAY: 2018-11-19T08:15:37.258296
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C28H37NO2

SMILES: CC(C)c1c2cccc1C(=O)CCCCCC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C2

BIRTHDAY: 2018-11-19T08:15:37.266610
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis Plan
FORMULA:C35H57N7O3

SMILES: Cc1c(N)cnn1Cn1cc(-c2cccc(NC(=O)C(C)(C)O)c2OC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N(C)C)cn1

BIRTHDAY: 2018-11-19T08:15:37.279237
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C20H19F2N5O

SMILES: Fc1cc(F)cc(Nc2ncc(Nc3ccccc3N3CCOCC3)cn2)c1

BIRTHDAY: 2018-11-19T08:15:37.288969
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C29H38N6O3

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)Oc1cccc(Nc2cncnc2C(=O)Nc2cccc(C(N)=O)c2)c1

BIRTHDAY: 2018-11-19T08:15:37.310074
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H25F3N4

SMILES: CC(C)c1cccc(Nc2ncnc(C(F)(F)F)c2Nc2cccc(C(C)C)c2)c1

BIRTHDAY: 2018-11-19T08:15:37.329700
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H30F3N7O

SMILES: CC(C)n1cnc2nc(NC3(N)CCCCC3)nc(Nc3cccc([C@](C)(O)C(F)(F)F)c3)c21

BIRTHDAY: 2018-11-19T08:15:37.342141
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C26H30FN7O2

SMILES: Fc1cc(Nc2nc3c(c(Nc4cccc(N5CCOCC5)c4)n2)NCC3)cc(N2CCOCC2)c1

BIRTHDAY: 2018-11-19T08:15:37.353803
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C22H25ClN4

SMILES: CC(C)c1ccccc1Nc1ncnc(Cl)c1Nc1ccccc1C(C)C

BIRTHDAY: 2018-11-19T08:15:37.362892
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H28N8O

SMILES: COc1cccc(-c2[nH]ncc2N)c1Nc1ncc2c(n1)C[C@@H](NCC(C)(C)C)C=N2

BIRTHDAY: 2018-11-19T08:15:37.383168
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H30F3N7O

SMILES: CC(C)n1cnc2nc(Nc3cccc([C@](C)(O)C(F)(F)F)c3)nc(NC3(N)CCCCC3)c21

BIRTHDAY: 2018-11-19T08:15:37.395342
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C24H27F3N4

SMILES: CC(C)c1ccccc1Nc1c(Nc2ccccc2C(C)(C)C)ncnc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:15:37.415425
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H22N6O

SMILES: CC(C)c1ccccc1Nc1nc(Nc2ccccc2C(N)=O)nc2[nH]ccc12

BIRTHDAY: 2018-11-19T08:15:37.424951
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H23N9O

SMILES: N#Cc1ccccc1Nc1ncnc(-c2cccnc2)c1NC[C@@]1(OCc2cccnc2)C=NCN1

BIRTHDAY: 2018-11-19T08:15:37.437156
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C24H29N5

SMILES: CC(C)c1ccc(Nc2nc(Nc3cccc(C(C)C)c3)nc3c2NCC3)cc1

BIRTHDAY: 2018-11-19T08:15:37.445993
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C20H30N4O

SMILES: CN(C)CCCC1=CN=C(N2CCN(C)Cc3ccccc3C2)CO1

BIRTHDAY: 2018-11-19T08:15:37.453949
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C21H18F5N5O

SMILES: Fc1cccc(F)c1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:15:37.475163
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C23H27N7O

SMILES: COc1cc(-c2ccnn2C)ccc1Nc1ncc2c(NCC(C)(C)C)cncc2n1

BIRTHDAY: 2018-11-19T08:15:37.484982
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H24N6O

SMILES: CC(C)c1cccc(Nc2nc(Nc3ccc(C(N)=O)cc3)nc3c2NCC3)c1

BIRTHDAY: 2018-11-19T08:15:37.494604
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C22H16N4O2S

SMILES: O=C(Nc1ccccc1C(=O)Nc1ncsc1-c1ccccn1)c1ccccc1

BIRTHDAY: 2018-11-19T08:15:37.504336
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C24H26N4O3S

SMILES: CC(C)c1ccccc1N1C=C(COc2cccc3c2C(C(=N)N)=CCC3)C=NS1(=O)=O

BIRTHDAY: 2018-11-19T08:15:37.514411
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C24H27F3N4

SMILES: CC(C)c1ccc(Nc2c(Nc3cccc(C(C)(C)C)c3)ncnc2C(F)(F)F)cc1

BIRTHDAY: 2018-11-19T08:15:37.524217
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C22H28N8O

SMILES: COc1ccc(-c2n[nH]cc2N)c(Nc2ncnc3c2N=C[C@H](NCC(C)(C)C)C3)c1

BIRTHDAY: 2018-11-19T08:15:37.534612
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C26H42N4O2S

SMILES: Cc1c(NC(C)C)nsc1C(=O)Nc1ccc(OCCCCCCCCCCN(C)C)cc1

BIRTHDAY: 2018-11-19T08:15:37.543738
ATC: C03D
- CARDIOVASCULAR SYSTEM
- DIURETICS
- POTASSIUM-SPARING AGENTS
Synthesis Plan
FORMULA:C37H47N7O2

SMILES: COc1cccc(Nc2ncnc3c2[C@H](NCC(C)(C)C)CC=N3)c1-c1cnn2c1CCCCCCOCCCc1ccc-2cc1

BIRTHDAY: 2018-11-19T08:15:37.557523
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H29NO5

SMILES: CC(C)c1ccc(N2CCOCc3cc(O)c(O)cc3-c3cccc(c3)COCC2=O)cc1

BIRTHDAY: 2018-11-19T08:15:37.567049
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C9H10S5

SMILES: CC(C)c1ccc2c(c1)SSSSS2

BIRTHDAY: 2018-11-19T08:15:37.573754
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:C23H31F3N8O2

SMILES: O=C1CNCCNCCNC[C@H]2C[C@H](N1)[C@H](Nc1nc(Nc3ccc(C(F)(F)F)cc3)ncc1O)C2

BIRTHDAY: 2018-11-19T08:15:37.595955
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:C24H27F3N4

SMILES: CC(C)c1cccc(Nc2c(Nc3cccc(C(C)(C)C)c3)ncnc2C(F)(F)F)c1

BIRTHDAY: 2018-11-19T08:15:37.616254
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C22H28N8O

SMILES: COc1cccc(-c2n[nH]cc2N)c1Nc1ncc2c(n1)C[C@@H](NCC(C)(C)C)C=N2

BIRTHDAY: 2018-11-19T08:15:37.626605
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C25H35N7

SMILES: CC(C)c1cccc(Nc2nc(N[C@@H]3CCC[C@H](N)C3)c3c(ncn3C3CCCC3)n2)c1

BIRTHDAY: 2018-11-30T17:23:10.795447
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H28N8O

SMILES: COc1cccc(Nc2ncnc3c2N=C[C@@H](NCC(C)(C)C)C3)c1-c1cc(N)[nH]n1

BIRTHDAY: 2018-11-30T17:23:10.806010
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C29H35N7O3

SMILES: COc1ccccc1Nc1c2ncn1C[C@]1(C(=O)NC(C)C)NC=NC1=CCOc1cccc(c1)CNCC2

BIRTHDAY: 2018-11-30T17:23:10.829578
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C23H29N7O

SMILES: COc1cc(Nc2ncc3c(n2)N=C[C@@H](NCC(C)(C)C)C3)cc(-c2cnn(C)c2)c1

BIRTHDAY: 2018-11-30T17:23:10.839255
ATC: D06A
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- ANTIBIOTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C25H28FNO4

SMILES: COc1ccc(N2[C@H]3C(OCc4ccccc4F)=CC=C[C@@H]3OCOCC2(C)C)cc1

BIRTHDAY: 2018-11-30T17:23:10.869454
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C22H36N6O6

SMILES: C[C@@H](O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]1CCCCCCCCc2c[nH]c1n2

BIRTHDAY: 2018-11-30T17:23:10.900706
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C25H27N7O2

SMILES: COc1cc(-c2n[nH]c3c2C=CCO3)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1

BIRTHDAY: 2018-11-30T17:23:10.911483
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H23N5O

SMILES: CC(C)c1ccc(Nc2ncc3cc(N4CCOCC4)ncc3n2)cc1

BIRTHDAY: 2018-11-30T17:23:10.919912
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H35N7O3S

SMILES: CC(C)[C@]12C=CC=C[C@]1(c1[nH]nc3c1C=CC3)SNC=CN2[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(N)=O

BIRTHDAY: 2018-11-30T17:23:10.953080
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C26H26N4O4

SMILES: COc1ccc2c(c1)N1CCN2Cc2cccc(c2)Oc2cc(cc(C(N)=O)c2)CNC(=O)C1

BIRTHDAY: 2018-11-30T17:23:10.963656
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C21H29N5

SMILES: CC(C)c1ccccc1Nc1ncc2c(n1)[C@@H](NCC(C)(C)C)CC=N2

BIRTHDAY: 2018-11-30T17:23:10.971946
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C27H21N9O2

SMILES: COc1cc(Nc2ncc3ccnc(NC4=CCCOc5c(C#N)cccc54)c3n2)ccc1-c1nnc[nH]1

BIRTHDAY: 2018-12-02T16:06:19.134132
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H24N6OS

SMILES: COc1ccc(Nc2ncc3c4c(ncc3n2)-c2csnc2CCCCNCC4)cc1

BIRTHDAY: 2018-12-02T16:06:19.184192
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C29H35N5O

SMILES: COc1cccc(Nc2ncc3c(n2)[C@H](NCC(C)(C)C)CC=N3)c1[C@H]1C[C@@H]2C=CC=C[C@@H]1C=C2

BIRTHDAY: 2018-12-02T16:06:19.213186
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C22H27N7O

SMILES: COc1ccc(Nc2ncc3ccnc(NC[C@]4(C)C[C@@H]5C[C@H](CN5)N4)c3n2)cc1

BIRTHDAY: 2018-12-02T16:06:19.254138
ATC: C02C
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis Plan
FORMULA:C23H33N7O

SMILES: CC(C)n1cnc2nc(NC3(N)CCCCC3)nc(Nc3ccc(C(C)(C)O)cc3)c21

BIRTHDAY: 2018-12-02T16:06:19.264134
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis Plan
FORMULA:C21H22N4OS

SMILES: O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(NC[C@@H]2CCNC2)c1

BIRTHDAY: 2018-12-02T16:06:19.272850
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C22H24N6O

SMILES: CC(C)c1ccc(Nc2nc3c(c(Nc4cccc(C(N)=O)c4)n2)CCN3)cc1

BIRTHDAY: 2018-12-03T10:42:40.714368
ATC: H01C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- HYPOTHALAMIC HORMONES
Synthesis Plan
FORMULA:C22H25N9O

SMILES: COc1cccc(Nc2ncc3c(cnc4nnc(NCC5CCNCC5)nc43)n2)c1C

BIRTHDAY: 2018-12-03T10:42:40.724945
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C21H25N3O

SMILES: COc1cc2nc(N[C@@H](C)c3ccccc3)ncc2cc1C(C)(C)C

BIRTHDAY: 2018-12-03T10:42:40.742689
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C29H42FNO2S

SMILES: CN(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@@H]1[S@+]([O-])CO[C@]1(c1ccccc1)c1ccccc1F

BIRTHDAY: 2018-12-03T10:42:40.783559
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C27H27N5O3

SMILES: O=C(C#CC1(CO)CC1)Nc1ccccc1-c1cncnc1Nc1ccccc1N1CCOCC1

BIRTHDAY: 2018-12-03T10:42:40.824416
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H21F3N6O

SMILES: COc1cccc(Nc2nc(NC3CC3)c3c(ncn3C(C)C)n2)c1C(F)(F)F

BIRTHDAY: 2018-12-03T10:42:40.844389
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C28H26N4O3S

SMILES: COc1ccccc1Nc1nc2cc(n1)-c1cccc(c1)CN(C)C(=O)CCOc1cccc(c1)S2

BIRTHDAY: 2018-12-03T19:11:05.812756
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C16H23F3N6O

SMILES: CNc1nc(Nc2cn(C)nc2C(C)(C)C(C)(C)O)ncc1C(F)(F)F

BIRTHDAY: 2018-12-03T19:11:05.852765
ATC: V08D
- VARIOUS
- CONTRAST MEDIA
- ULTRASOUND CONTRAST MEDIA
Synthesis Plan
FORMULA:C21H22N4OS

SMILES: C[C@]1(Nc2ccccc2C(=O)Nc2ncsc2-c2ccccc2)CCCN1

BIRTHDAY: 2018-12-03T19:11:05.881427
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C25H38N6O2

SMILES: CC(C)c1ccc(Nc2nccc(N[C@@H]3CCNCCCCCCOC(=O)NCC3)n2)cc1

BIRTHDAY: 2018-12-03T19:11:05.891483
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C20H18N6O2

SMILES: COc1cc(C#N)ccc1Nc1ncc2ccnc(N[C@H]3C=COCC3)c2n1

BIRTHDAY: 2018-12-03T19:11:05.901344
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C26H31N7O3

SMILES: COc1cccc(Nc2ncnc3c2N=CC[C@@H]3NCC(C)(C)C)c1-c1cc2n(n1)C[C@@H]1OC[C@@H]2O1

BIRTHDAY: 2018-12-03T19:11:05.913007
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis Plan
FORMULA:C18H20N6O3

SMILES: COc1cccc(O)c1Nc1ncnc2c1C[C@@H](N[C@@]1(C)C=CON1)C=N2

BIRTHDAY: 2018-12-01T22:30:10.617565
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H35N7O3

SMILES: CC(C)c1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nc3c2ncn3[C@H]2C[C@@H](O)[C@H](CO)O2)c1

BIRTHDAY: 2018-12-01T22:30:10.668736
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C25H40N4O2S

SMILES: Cc1snc(NC(C)C)c1C(=O)Nc1cccc(OC(C)(C)C(C)(C)C(C)(C)N(C)C)c1

BIRTHDAY: 2018-12-01T22:30:10.697884
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis Plan
FORMULA:C20H23N5O

SMILES: CC(C)c1ccc(Nc2ncnc3cnc(N4CCOCC4)cc23)cc1

BIRTHDAY: 2018-12-01T22:30:10.735235
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H30N6O

SMILES: COc1cccc(Nc2nc(NC3CC3)nc3ncn(C(C)C)c23)c1C(C)(C)C

BIRTHDAY: 2018-12-01T22:30:10.744444
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H28N8O

SMILES: COc1ccc(-c2n[nH]cc2N)c(Nc2ncc3c(n2)N=C[C@@H](NCC(C)(C)C)C3)c1

BIRTHDAY: 2018-12-01T22:30:10.764177
ATC: V08D
- VARIOUS
- CONTRAST MEDIA
- ULTRASOUND CONTRAST MEDIA
Synthesis Plan