matter.farm

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

These compounds may interact with:

Activated CDC42 kinase 1

Potentially involved in: carcinoma; cancer; liver neoplasms; precancerous conditions; atypical teratoid / rhabdoid tumor; medulloblastoma, large-cell; oligodendroglioma; osteosarcoma; posterior fossa group b ependymoma; sonic hedgehog group medulloblastoma; philadelphia chromosome positive chronic myelocytic leukemia; philadelphia chromosome-positive acute lymphoblastic leukemia; blastic phase chronic myeloid leukemia; chronic phase chronic myeloid leukemia; chronic myelocytic leukemia accelerated phase

Disease data sourced from Pharos.

Inhibitor

FORMULA:C22H22N4O

SMILES: N[C@@]12C=NC=CN1C(c1ccccc1Oc1ccccc1)=C(C1CCC1)N2

BIRTHDAY: 2018-12-01T14:11:25.745404
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C36H38N6O5

SMILES: COc1ccccc1-c1nc([C@H]2CC[C@@]2(C)O)c2n1Cc1cccc(c1)N([C@@](C)(N)O)c1nccc(n1)-c1ccc(o1)COCC=C2

BIRTHDAY: 2018-12-01T14:11:25.768432
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C22H22N4O

SMILES: N[C@H]1C=NC=C2NC(c3ccccc3Oc3ccccc3)=C(C3CCC3)N21

BIRTHDAY: 2018-12-01T14:11:25.777265
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C22H22N4O

SMILES: CN1C=CN=C2NC(c3ccc(Oc4ccccc4)cc3)=N[C@]21C1CCC1

BIRTHDAY: 2018-12-01T14:11:25.795142
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C31H31F3N2O4

SMILES: CC(C)Oc1ccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)c(=O)n2-c2ccc(OCCN(C)C)cc2)cc1

BIRTHDAY: 2018-12-01T14:11:25.806525
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C33H31N3O2

SMILES: Cc1ccc(-c2c(-c3ccc(C(=O)NC4CC4)cc3)nc3cccc(-c4ccc(OC(C)C)cc4)n23)cc1

BIRTHDAY: 2018-12-01T14:11:25.834757
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C29H23FN2O3

SMILES: CC(C)Oc1ccc(-c2cccn3c(-c4ccc(C(=O)O)cc4)c(-c4ccc(F)cc4)nc23)cc1

BIRTHDAY: 2018-12-01T14:11:25.844658
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:C22H22N4O

SMILES: N[C@@H]1NC=Cn2c(-c3ccccc3Oc3ccccc3)nc(C3CCC3)c21

BIRTHDAY: 2018-12-01T14:11:25.862252
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C23H24N4O2

SMILES: C[C@]1(O)CC[C@H]1c1c(-c2ccccc2Oc2ccccc2)nc2n1C=CN[C@H]2N

BIRTHDAY: 2018-12-01T14:11:25.871785
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H21N5O

SMILES: NC1=CN=C2N=C(C3CCC3)N[C@@]2(c2ccccc2Oc2ccccc2)N1

BIRTHDAY: 2018-12-01T14:11:25.881038
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C26H31N5O

SMILES: CC(C)(O)c1cccc([C@@]23C=CC=CN2C(Nc2ccccc2[C@H]2CCCCN2)=NN3)c1

BIRTHDAY: 2018-12-01T14:11:25.899675
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C22H22N4O

SMILES: CN1C=CN=C2N=C(c3ccc(Oc4ccccc4)cc3)N[C@@]21C1CCC1

BIRTHDAY: 2018-12-25T02:03:28.825489
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C22H22N4O

SMILES: CN1C=CN=C2NC(c3ccc(Oc4ccccc4)cc3)=N[C@@]21C1CCC1

BIRTHDAY: 2018-12-25T02:03:28.843750
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C22H22N4O

SMILES: CN1C=CN=C2NC(c3cccc(Oc4ccccc4)c3)=N[C@]21C1CCC1

BIRTHDAY: 2018-12-25T02:03:28.861939
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C25H23N3O

SMILES: C[C@H](Oc1ccc(-c2c(-c3ccccn3)nn3c2CCC3)cc1)c1ccccc1

BIRTHDAY: 2018-12-25T02:03:28.879900
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:C5H9NO

SMILES: CC1(C)C[CH-]N=[O+]1

BIRTHDAY: 2018-12-25T02:03:28.894073
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C22H22N4O

SMILES: N[C@]12C=NC=CN1C(C1CCC1)=C(c1ccccc1Oc1ccccc1)N2

BIRTHDAY: 2018-12-25T02:03:28.903103
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C32H29N3O2

SMILES: CC(C)Oc1ccc(-c2cccc3nc(-c4ccc(C(=O)NC5CC5)cc4)c(-c4ccccc4)n23)cc1

BIRTHDAY: 2018-12-25T02:03:28.913351
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C27H29N5O3

SMILES: CC(C)NC(=O)c1ccc(-c2nc(C3CC(C)(O)C3)n3ccnc(N)c23)cc1Oc1ccccc1

BIRTHDAY: 2018-12-25T02:03:28.924086
ATC: C03A
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, THIAZIDES
Synthesis Plan
FORMULA:C22H22N4O

SMILES: N[C@@H]1C=NC=C2NC(c3ccccc3Oc3ccccc3)=C(C3CCC3)N21

BIRTHDAY: 2018-12-25T02:03:28.941913
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C31H31F3N2O4

SMILES: CC(C)Oc1ccccc1-c1cc(-c2ccccc2OC(F)(F)F)cc(=O)n1-c1ccccc1O[C@@H](C)N(C)C

BIRTHDAY: 2018-12-25T02:03:28.963013
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C23H24N4O2

SMILES: C[C@@]1(O)CC[C@@H]1c1c(-c2ccccc2Oc2ccccc2)nc2n1C=CN[C@H]2N

BIRTHDAY: 2018-12-03T02:39:34.112232
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H22N4O

SMILES: N[C@]12C=NC=CN1C(c1ccccc1Oc1ccccc1)=C(C1CCC1)N2

BIRTHDAY: 2018-12-03T02:39:34.129965
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C31H34N2O4

SMILES: COc1ccccc1-c1ccc(=O)n(-c2ccccc2O[C@H](C)N(C)C)c1-c1ccccc1OC(C)C

BIRTHDAY: 2018-12-03T02:39:34.151148
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C22H22N4O

SMILES: CN1C=CN=C2N=C(c3ccc(Oc4ccccc4)cc3)N[C@]21C1CCC1

BIRTHDAY: 2018-12-03T02:39:34.160168
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C27H31N5O3

SMILES: CC(C)NC(=O)c1cccc(Oc2ccccc2)c1-c1nc2n(c1[C@H]1CC[C@@]1(C)O)C=CN[C@@H]2N

BIRTHDAY: 2018-12-03T02:39:34.171209
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H23N5O3

SMILES: CC1(O)CC(c2nc(-c3ccc(C(N)=O)c(Oc4ccccc4)c3)c3c(N)nccn23)C1

BIRTHDAY: 2018-12-03T02:39:34.235239
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C28H34N6O3

SMILES: CN1C=CN=C2N=C(c3ccc(Oc4ccccc4)cc3)N[C@@]21[C@@H]1CNCCCOCCCNC(=O)C1

BIRTHDAY: 2018-12-03T02:39:34.247694
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C23H24N4O2

SMILES: C[C@]1(O)CC[C@@H]1c1c(-c2ccccc2Oc2ccccc2)nc2n1C=CN[C@H]2N

BIRTHDAY: 2018-12-03T02:39:34.266394
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H22N4O2

SMILES: CC1(O)CC(c2nc(-c3cccc(Oc4ccccc4)c3)c3c(N)nccn23)C1

BIRTHDAY: 2018-11-30T03:41:30.093898
ATC: C03A
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, THIAZIDES
Synthesis plan pending
FORMULA:C21H19N7O2

SMILES: N[C@H]1C=NC=C2NC(c3ccccc3Oc3ccccc3)=C([C@@H]3NN=NCC3=O)N21

BIRTHDAY: 2018-11-30T03:41:30.104660
ATC: A11H
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- OTHER PLAIN VITAMIN PREPARATIONS
Synthesis plan pending
FORMULA:C31H31F3N2O4

SMILES: CC(C)Oc1ccccc1-c1ccc(-c2ccccc2OC(F)(F)F)n(-c2ccccc2O[C@@H](C)N(C)C)c1=O

BIRTHDAY: 2018-11-30T03:41:30.170380
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:C22H20N4O

SMILES: Nc1nccn2c(C3CCC3)nc(-c3ccccc3Oc3ccccc3)c12

BIRTHDAY: 2018-11-30T03:41:30.179319
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis plan pending
FORMULA:C25H26N4O

SMILES: CC(C)Oc1ccc(-c2ccc(-c3nc(C4CCC4)n4ccnc(N)c34)cc2)cc1

BIRTHDAY: 2018-11-30T03:41:30.241811
ATC: C03A
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, THIAZIDES
Synthesis plan pending
FORMULA:C44H42N8O3

SMILES: CC1(O)CC(c2nc(-c3ccc(Oc4ccccc4)c(-c4cnc5nc4NCCc4cccc(c4)OCCCc4cccc(c4)N5)c3)c3c(N)nccn23)C1

BIRTHDAY: 2018-11-19T08:13:58.636417
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis plan pending
FORMULA:C22H22N4O

SMILES: NC1=Cn2c(-c3ccccc3Oc3ccccc3)nc(C3CCC3)c2CN1

BIRTHDAY: 2018-11-19T08:13:58.665711
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis plan pending
FORMULA:C32H31N3O2

SMILES: CC(C)Oc1ccccc1[C@@H]1C=CC=C2NC(c3ccccc3)=C(c3ccccc3C(=O)NC3CC3)N21

BIRTHDAY: 2018-11-19T08:13:58.726130
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis plan pending
FORMULA:C22H22N4O

SMILES: N[C@H]1NC=Cn2c1nc(C1CCC1)c2-c1cccc(Oc2ccccc2)c1

BIRTHDAY: 2018-11-19T08:13:58.745200
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C22H22N4O

SMILES: N[C@@H]1NC=Cn2c1nc(C1CCC1)c2-c1ccccc1Oc1ccccc1

BIRTHDAY: 2018-11-19T08:13:58.754222
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C26H29N5O

SMILES: CC(C)(O)c1ccc(-c2cccn3nc(Nc4ccc(C5CCNCC5)cc4)nc23)cc1

BIRTHDAY: 2018-11-19T08:13:58.763684
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C22H22N4O

SMILES: N[C@H]1C=NC=C2NC(C3CCC3)=C(c3ccccc3Oc3ccccc3)N21

BIRTHDAY: 2018-11-19T08:13:58.781603
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis plan pending
FORMULA:C22H22N4O

SMILES: N[C@@]12C=NC=CN1C(C1CCC1)=C(c1ccccc1Oc1ccccc1)N2

BIRTHDAY: 2018-11-19T08:13:58.790724
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C24H25N5O3

SMILES: C[C@@]1(O)CC[C@@H]1c1c(-c2c(Oc3ccccc3)cccc2C(N)=O)nc2n1C=CN[C@H]2N

BIRTHDAY: 2018-11-19T08:13:58.801788
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C23H24N4O2

SMILES: C[C@@]1(O)CC[C@H]1c1c(-c2ccccc2Oc2ccccc2)nc2n1C=CN[C@@H]2N

BIRTHDAY: 2018-11-19T08:13:58.811481
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C38H40N8O3

SMILES: C[C@@]1(O)CC[C@H]1c1c(-c2c3cncc2C2(OCC=CCOCc4cccc(c4)Nc4nccc-3n4)[C@H]3C=C[C@H]2CC3)nc2n1C(N)=CNC2

BIRTHDAY: 2018-11-19T08:13:58.826571
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C22H22N4O

SMILES: CN1C=CN=C2N=C(C3CCC3)N[C@]21c1ccccc1Oc1ccccc1

BIRTHDAY: 2018-11-19T08:13:58.848701
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis plan pending
FORMULA:C32H31N3O2

SMILES: CC(C)Oc1ccccc1[C@]12C=CC=CN1C(c1ccccc1C(=O)NC1CC1)=C(c1ccccc1)N2

BIRTHDAY: 2018-11-19T08:13:58.860268
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis plan pending
FORMULA:C30H34N8O3

SMILES: CN1C=CN=C2N=C(c3ncc4nc3NCNCCOCCCCCO4)N[C@@]21c1ccc(Oc2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:13:58.873998
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C33H29N5O5S3

SMILES: COc1ccc(-c2ncc(C3=C(N4CC(=O)N[C@H]5CC(=O)N(CCc6cccc(c6)Oc6cccc(c6)C4)C5=O)SSS3)[nH]2)cc1

BIRTHDAY: 2018-11-19T08:13:58.888649
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis plan pending
FORMULA:C23H24N4O2

SMILES: C[C@]1(O)CC[C@H]1c1c(-c2ccccc2Oc2ccccc2)nc2n1C=CN[C@@H]2N

BIRTHDAY: 2018-11-19T08:13:58.898304
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C24H25N5O3

SMILES: C[C@]1(O)CC[C@H]1c1c(-c2c(Oc3ccccc3)cccc2C(N)=O)nc2n1C=CN[C@@H]2N

BIRTHDAY: 2018-11-19T08:13:58.909345
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C22H22N4O

SMILES: CN1C=CN=C2N=C(c3ccccc3Oc3ccccc3)N[C@]21C1CCC1

BIRTHDAY: 2018-11-19T08:13:58.918610
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis plan pending
FORMULA:C27H24N4O3S2

SMILES: CC1(O)CC(c2nc(-c3cc(C(N)=O)ccc3Oc3ccccc3)c3cnc4c(n23)SC=CSC4)C1

BIRTHDAY: 2018-11-19T08:13:58.948186
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:C25H28N4O

SMILES: CC(C)Oc1ccccc1-c1ccccc1-c1nc(C2CCC2)c2n1C=CN[C@@H]2N

BIRTHDAY: 2018-11-19T08:13:58.957423
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C26H27N3O4

SMILES: C[C@@]1(O)CC[C@@H]1c1c(-c2ccccc2Oc2ccccc2)nc2n1C=CNC21OCCCO1

BIRTHDAY: 2018-11-19T08:13:58.987368
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:C32H31N3O2

SMILES: CC(C)Oc1ccccc1[C@]12C=CC=CN1C(c1ccccc1)=C(c1ccccc1C(=O)NC1CC1)N2

BIRTHDAY: 2018-11-19T08:13:58.997939
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C22H22N4O

SMILES: N[C@H]1NC=Cn2c(-c3ccccc3Oc3ccccc3)nc(C3CCC3)c21

BIRTHDAY: 2018-11-19T08:13:59.015828
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C25H20F3NO2

SMILES: CC(C)Oc1ccc(-c2cccn(-c3ccc4cccc(C(F)(F)F)c4c3)c2=O)cc1

BIRTHDAY: 2018-11-19T08:13:59.025113
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C22H22N4O

SMILES: NC1=NC=CN2C(C3CCC3)=C(c3cccc(Oc4ccccc4)c3)N[C@H]12

BIRTHDAY: 2018-11-19T08:13:59.042825
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:C22H29N3O

SMILES: CC1=C[C@H](Nc2ccc(-c3ccc(C(C)(C)O)cc3)cn2)CCNCC1

BIRTHDAY: 2018-11-19T08:13:59.050694
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C22H20N4O

SMILES: Nc1nccn2c(-c3ccccc3Oc3ccccc3)nc(C3CCC3)c12

BIRTHDAY: 2018-11-30T17:23:51.793942
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C27H31N5O3

SMILES: CC(C)NC(=O)c1cccc(Oc2ccccc2)c1-c1nc2n(c1[C@H]1CC[C@]1(C)O)C=CN[C@@H]2N

BIRTHDAY: 2018-11-30T17:23:51.804845
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H22N4O

SMILES: CN1C=CN=C2N=C(c3cccc(Oc4ccccc4)c3)N[C@@]21C1CCC1

BIRTHDAY: 2018-11-30T17:23:51.832742
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C28H28N4O3

SMILES: C[C@H](Oc1ccc(-c2ccc3ncc(C(=O)N4CCC(C(N)=O)CC4)n3c2)cc1)c1ccccc1

BIRTHDAY: 2018-11-30T17:23:51.869243
ATC: S01F
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- MYDRIATICS AND CYCLOPLEGICS
Synthesis Plan
FORMULA:C9H18N2O2

SMILES: C[C@@H]1CNC=CNC(O)(O)C[C@H]1C

BIRTHDAY: 2018-11-30T17:23:51.875551
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C27H31N5O2

SMILES: CC(C)(O)c1ccc(-c2cccn3nc(Nc4ccc(OCCN5CCCC5)cc4)nc23)cc1

BIRTHDAY: 2018-11-30T17:23:51.902778
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C27H31N5O3

SMILES: CC(C)NC(=O)c1cccc(Oc2ccccc2)c1-c1nc2n(c1C1CC(C)(O)C1)C=CN[C@@H]2N

BIRTHDAY: 2018-12-02T16:06:59.726265
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H24N4O2

SMILES: C[C@@H](Oc1ccc(-c2c(-c3ccccn3)nn3c2CCC3)cc1)[C@H]1CNC(=O)C1

BIRTHDAY: 2018-12-02T16:06:59.744698
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C24H19FN4O

SMILES: CN1C=CN=C2NC(c3ccc(Oc4ccccc4)cc3)=N[C@@]21c1ccc(F)cc1

BIRTHDAY: 2018-12-03T10:43:21.723599
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C24H22N2O2

SMILES: CC1(O)CC(c2nc3c([nH]2)C=Cc2ccc(O)cc2C=C3c2ccccc2)C1

BIRTHDAY: 2018-12-03T10:43:21.749739
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C26H24N4O3

SMILES: CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)Nc3ccccc3)[nH]n2)cc1

BIRTHDAY: 2018-12-03T10:43:21.805121
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C22H22N4O

SMILES: CN1C=CN=C2NC(c3cccc(Oc4ccccc4)c3)=N[C@@]21C1CCC1

BIRTHDAY: 2018-12-03T10:43:21.858345
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C22H22N4O

SMILES: CN1C=CN=C2NC(C3CCC3)=N[C@]21c1cccc(Oc2ccccc2)c1

BIRTHDAY: 2018-12-03T19:11:46.471778
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C32H31N3O2

SMILES: CC(C)Oc1cccc([C@@]23C=CC=CN2C(c2ccccc2C(=O)NC2CC2)=C(c2ccccc2)N3)c1

BIRTHDAY: 2018-12-03T19:11:46.483243
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C22H22N4O

SMILES: N[C@]12C=NC=CN1C(c1ccc(Oc3ccccc3)cc1)=C(C1CCC1)N2

BIRTHDAY: 2018-12-03T19:11:46.492165
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H25N5O3

SMILES: C[C@]1(O)CC[C@H]1c1c(-c2c(Oc3ccccc3)cccc2C(N)=O)nc2n1C(N)=CNC2

BIRTHDAY: 2018-12-03T19:11:46.522644
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C24H25N5O3

SMILES: C[C@]1(O)CC[C@@H]1c1c(-c2c(Oc3ccccc3)cccc2C(N)=O)nc2n1C=CN[C@H]2N

BIRTHDAY: 2018-12-03T19:11:46.533704
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C42H39N7O3

SMILES: N[C@@]12C=NC=CN1C(c1c3ccc4cccc(c14)N1CC(=O)[C@H](C1)NCCCNCc1cccc(c1)O3)=C(c1ccccc1Oc1ccccc1)N2

BIRTHDAY: 2018-12-03T19:11:46.549367
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H20N4O

SMILES: Nc1nccn2c(C3CCC3)c(-c3ccccc3Oc3ccccc3)nc12

BIRTHDAY: 2018-12-03T19:11:46.567082
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C34H39N7O3

SMILES: CC(C)(O)c1ccc(-c2cccc3nc(Nc4ccc(OCCN5CCCCOc6cncc(n6)CCC5)cc4)nn23)cc1

BIRTHDAY: 2018-12-03T19:11:46.606967
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C31H31F3N2O4

SMILES: CC(C)Oc1ccc(-c2cn(-c3ccc(OCCN(C)C)cc3)c(=O)cc2-c2ccc(OC(F)(F)F)cc2)cc1

BIRTHDAY: 2018-12-03T19:11:46.627239
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C31H36N6O2

SMILES: CC(C)Nc1ccncc1-c1nc(-c2cccc(-c3cccc(OC(C)C)c3)c2)n2c1C(N[C@H](C)O)=CNC2

BIRTHDAY: 2018-12-01T22:30:52.617933
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C28H27N5O2

SMILES: CC(C)(O)c1cccc([C@]23C=CC=CN2C(Nc2ccccc2C(=O)N2C=CC=CC=C2)=NN3)c1

BIRTHDAY: 2018-12-01T22:30:52.639451
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C24H22F3N3O2

SMILES: O=C1C[C@@H](c2ccccc2)Nc2ccc(O)c(c2)NCCN1c1ccc(C(F)(F)F)cc1

BIRTHDAY: 2018-12-01T22:30:52.677084
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C26H28N4O2

SMILES: CC(C)Oc1ccccc1-c1ccc(-c2nc(C3CC(C)(O)C3)n3ccnc(N)c23)cc1

BIRTHDAY: 2018-12-01T22:30:52.686518
ATC: C03A
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, THIAZIDES
Synthesis Plan