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 beta isoform

Potentially involved in: carcinoma; cancer; schizophrenia; diffuse large b-cell lymphoma; acute myeloid leukemia; adult high grade glioma; astrocytoma, pilocytic; atypical teratoid / rhabdoid tumor; dermatomyositis; ependymoma; glioblastoma; group 4 medulloblastoma; intraductal papillary-mucinous adenoma (ipma); intraductal papillary-mucinous carcinoma (ipmc); intraductal papillary-mucinous neoplasm (ipmn); medulloblastoma, large-cell; osteosarcoma; ovarian cancer; pancreatic cancer; pancreatic carcinoma

Disease data sourced from Pharos.

Inhibitor

FORMULA:C26H22N4O4S

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

BIRTHDAY: 2018-12-01T14:10:24.288837
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C23H23ClN4O3

SMILES: COc1ccc(-c2nc(NCc3ccc(Cl)cc3)ncc2C(=O)N2CCOCC2)cc1

BIRTHDAY: 2018-12-01T14:10:24.298725
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C18H27N7O

SMILES: CN(C)C(C)(C)C(=O)N1CCCC[C@@H]1c1nnn2c1N[C@H]1NC=CC1=C2

BIRTHDAY: 2018-12-01T14:10:24.307896
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C19H23N7O2

SMILES: Cc1noc(-c2c(N)ncnc2N[C@@H](C)C2=CN3[C@H]4CCC[C@]3(CC2=O)C4)n1

BIRTHDAY: 2018-12-01T14:10:24.318341
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@]34C=CC(Cl)=CC3=CN(C3CC3)C(=O)C4)c(N)n2)n1

BIRTHDAY: 2018-12-01T14:10:24.329183
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C21H14F4N2O2

SMILES: O=C(Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1)c1cccc(F)c1

BIRTHDAY: 2018-12-01T14:10:24.338786
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@@H]3C(=O)CN(C4CC4)c4ccc(Cl)cc43)c(N)n2)n1

BIRTHDAY: 2018-12-01T14:10:24.349419
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C16H15N7O4S

SMILES: Cc1cccc(S(=O)(=O)N(C)/N=C/c2[nH]nc3c2C=CN[C@H]3C#N)c1[N+](=O)[O-]

BIRTHDAY: 2018-12-01T14:10:24.360105
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C25H25F3N4O3

SMILES: Nc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-12-01T14:10:24.371237
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C21H20ClN7O2

SMILES: Cc1nc(-c2c(N)ncnc2N[C@H](C)c2cc3cccc(Cl)c3c(=O)n2C2CC2)no1

BIRTHDAY: 2018-12-01T14:10:24.382440
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C45H43N9O5S

SMILES: N[C@@]1(c2ccccc2-n2nc3c(c2C(=O)N2CCOCC2)S[C@]2(OCC=CCOCc4cccc(c4)Nc4nccc(n4)-c4cncc2c4)c2ccccc2-3)COCCN1

BIRTHDAY: 2018-12-01T14:10:24.401892
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C25H26FN5O

SMILES: CN(C)C(C)(C)[C@@H](NC(=O)c1c(C#N)cnc(N)c1-c1cccc(F)c1)c1ccccc1

BIRTHDAY: 2018-12-01T14:10:24.412001
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C18H16F3N3O3

SMILES: N[C@@]1(C(=O)Nc2c(-c3ccccn3)cccc2C(F)(F)F)CCOC=CO1

BIRTHDAY: 2018-12-01T14:10:24.423400
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C20H26N4O4S

SMILES: CN(C)C(C)(C)n1nc2c(c1C(=O)N1CCOCC1)S(=O)(=O)[C@@H]1C=CC=CC1=C2

BIRTHDAY: 2018-12-01T14:10:24.433876
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C22H18N4O4S

SMILES: N#Cc1ccccc1-n1nc2c(c1C(=O)N1CCOCC1)S(=O)(=O)[C@@H]1C=CC=CC1=C2

BIRTHDAY: 2018-12-01T14:10:24.444743
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C16H15N7O4S

SMILES: Cc1cccc(S(=O)(=O)N(C)/N=C\c2[nH]nc3c2C=CN[C@@H]3C#N)c1[N+](=O)[O-]

BIRTHDAY: 2018-12-01T14:10:24.455571
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C25H18FN9O

SMILES: C[C@@H](Nc1nc(N)ncc1C#Cc1cnccn1)c1nc2c(F)cccc2c(=O)n1-c1ccncc1

BIRTHDAY: 2018-12-01T14:10:24.467766
ATC: A10A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- INSULINS AND ANALOGUES
Synthesis Plan
FORMULA:C30H36FN7O2

SMILES: Cc1nc(-c2c(N)ncnc2N[C@@H](C)c2cc3cccc(F)c3c(=O)n2C2=CCCCCCCCCCC2)no1

BIRTHDAY: 2018-12-01T14:10:24.480685
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C26H22N4O4S

SMILES: O=C(c1nn(-c2ccc(-c3ccccn3)cc2)c2c1-c1ccccc1CS2(=O)=O)N1CCOCC1

BIRTHDAY: 2018-12-01T14:10:24.491692
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C25H20FN9O

SMILES: C[C@H](Nc1cnc(N)nc1C#Cc1cnccn1)[C@@]12C(F)=CC=C[C@H]1C(=O)N=CN2c1ccccn1

BIRTHDAY: 2018-12-25T02:02:26.721547
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C24H27N5O3

SMILES: COc1cccc(CNc2c(NCc3ccccc3)ncnc2C(=O)N2CCOCC2)c1

BIRTHDAY: 2018-12-25T02:02:26.731777
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C25H18FN9O

SMILES: C[C@@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(F)c2c(=O)n1-c1cccnc1

BIRTHDAY: 2018-12-25T02:02:26.743900
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C30H30N6O3S

SMILES: O=C(c1c2c(nn1-c1ccccc1-c1ccccn1)C=C1C=CC=C[C@H]1S21(=O)CCNC=CN1)N1CCOCC1

BIRTHDAY: 2018-12-25T02:02:26.758026
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C43H51N7O3S

SMILES: C[C@H]1S[C@@]23C=CC=C[C@@]2(Cc2cn(cn2)CCCCOc2cccc(c2)CN3)c2nn(-c3ccc(CN4CCCCC4)cc3)c(C(=O)N3CCOCC3)c21

BIRTHDAY: 2018-12-25T02:02:26.774043
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@H](C)[C@@H]3C(=O)N(C4CC4)C=C4C=CC=C[C@]43Cl)c(N)n2)n1

BIRTHDAY: 2018-12-25T02:02:26.784807
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C25H20FN9O

SMILES: C[C@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@@]12C=CC=C[C@@]1(F)N=CN(c1ccccn1)C2=O

BIRTHDAY: 2018-12-25T02:02:26.797699
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C25H20FN9O

SMILES: C[C@@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@]12C=CC=C[C@]1(F)N=CN(c1ccccn1)C2=O

BIRTHDAY: 2018-12-25T02:02:26.810683
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C26H22N4O4S

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

BIRTHDAY: 2018-12-25T02:02:26.823507
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C18H21N7O2

SMILES: COc1ccnc(Nc2ccnc(-c3nc(C)nc(N)n3)c2C(C)(C)O)c1

BIRTHDAY: 2018-12-25T02:02:26.833643
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C25H20FN9O

SMILES: C[C@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@]12C=CC=C[C@]1(F)N=CN(c1ccccn1)C2=O

BIRTHDAY: 2018-12-25T02:02:26.846615
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C18H23N5O3

SMILES: CN(C)C(C)(C)C(=O)Nc1cccc2c1N=C1C(=O)NC=N[C@]1(CO)C2

BIRTHDAY: 2018-12-25T02:02:26.855951
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C20H22N6O2

SMILES: CN(C)CCCNC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12

BIRTHDAY: 2018-12-25T02:02:26.865339
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1nc(-c2ncc(N[C@@H](C)[C@H]3CN(C4CC4)c4cc(Cl)ccc4C3=O)c(N)n2)no1

BIRTHDAY: 2018-12-25T02:02:26.875974
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@H]3Cc4cc(Cl)ccc4N(C4CC4)C3=O)c(N)n2)n1

BIRTHDAY: 2018-12-25T02:02:26.886717
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H18FN5O3

SMILES: COc1ccc(-c2cnc(N[C@H](CO)c3nc4cccc(F)c4c(=O)[nH]3)nc2)cc1

BIRTHDAY: 2018-12-03T02:38:30.816619
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C25H20ClN9O

SMILES: C[C@@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@]12C=CC=C[C@]1(Cl)N(c1ccccn1)C=NC2=O

BIRTHDAY: 2018-12-03T02:38:30.829205
ATC: P03A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES
Synthesis Plan
FORMULA:C22H18N4O4S

SMILES: N#Cc1ccccc1-n1nc2c(c1C(=O)N1CCOCC1)S(=O)(=O)[C@H]1C=CC=CC1=C2

BIRTHDAY: 2018-12-03T02:38:30.840069
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C23H23ClN4O3

SMILES: COc1ccc(-c2ncc(NCc3ccccc3Cl)c(C(=O)N3CCOCC3)n2)cc1

BIRTHDAY: 2018-12-03T02:38:30.860906
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C24H27F2N5O2S

SMILES: CNC(=O)Nc1snc(-c2cccc(CNC(C)(C)C)c2)c1C(=O)N(C)c1ccc(F)cc1F

BIRTHDAY: 2018-12-03T02:38:30.871983
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@H](C)[C@@H]3CC(=O)N(C4CC4)c4ccc(Cl)cc43)c(N)n2)n1

BIRTHDAY: 2018-12-03T02:38:30.882462
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H15FN4O2

SMILES: O=C(Nc1cccc(-c2nc3cc(-c4cccnc4)cnc3o2)c1)c1ccc(F)cc1

BIRTHDAY: 2018-12-03T02:38:30.891979
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H31N5O4

SMILES: COc1ccccc1-c1ncnc(N2CCOCC2)c1C(=O)NC(C)(C)N1CCOCC1

BIRTHDAY: 2018-12-03T02:38:30.902250
ATC: A07D
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- ANTIPROPULSIVES
Synthesis Plan
FORMULA:C25H20FN9O

SMILES: C[C@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@@]12C=CC=C[C@@]1(F)N(c1ccccn1)C=NC2=O

BIRTHDAY: 2018-12-03T02:38:30.950444
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C24H32N2O3

SMILES: Cc1cc(C)c(NC(=O)[C@H]2[C@H]3[C@H]4C[C@H]2[C@@]2(CCCCCC=N2)C(O)(O)[C@@H]34)c(C)c1

BIRTHDAY: 2018-11-30T03:40:27.073791
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C18H20FN7O2

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

BIRTHDAY: 2018-11-30T03:40:27.120574
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: 2018-11-30T03:40:27.131854
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C24H29F3N6O3

SMILES: CN(C)CCCC(=O)Nc1ccc2c(cnc3nc(CN4CCOCC4)n(CC(F)(F)F)c(=O)c32)c1

BIRTHDAY: 2018-11-30T03:40:27.143264
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C27H32N10O2

SMILES: C[C@@H](Nc1nc(N)cc(C#Cc2cnccn2)n1)[C@@H]1N=CN(C2CC2)C(=O)[C@@]12CN1C[C@H]3C[C@H](C1)[C@@H](O)N2C3

BIRTHDAY: 2018-11-30T03:40:27.190485
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@H]3Cc4ccc(Cl)cc4N(C4CC4)C3=O)c(N)n2)n1

BIRTHDAY: 2018-11-30T03:40:27.201069
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H22N4O4S

SMILES: O=C(c1c2c(nn1-c1ccc(-c3ccncc3)cc1)C=C1C=CC=C[C@@H]1S2(=O)=O)N1CCOCC1

BIRTHDAY: 2018-11-30T03:40:27.223619
ATC: P02D
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTICESTODALS
Synthesis Plan
FORMULA:C25H26BFN8O3

SMILES: Cc1nc(-c2cnc(N[C@H](C)C3=CNc4ccc(F)cc4[C@]34OBC=C4C(=O)N3CCCC3)nc2N)no1

BIRTHDAY: 2018-11-30T03:40:27.236434
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H22N4O4S

SMILES: O=C(c1nn(-c2cccc(-c3cccnc3)c2)c2c1-c1ccccc1S(=O)(=O)C2)N1CCOCC1

BIRTHDAY: 2018-11-30T03:40:27.247543
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@H](C)[C@@]34CC(=O)N(C5CC5)C=C3C=CC=C4Cl)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:12:39.127419
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C34H52N14O

SMILES: C[C@@H](Nc1nc(N)cc(C#Cc2cnccn2)n1)C1=N[C@@](C)(N2C[C@H]3C[C@@H]2CNC=NCCCCNCCNCCCCN3)CC(=O)N1C

BIRTHDAY: 2018-11-19T08:12:39.142564
ATC: H05B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- ANTI-PARATHYROID AGENTS
Synthesis Plan
FORMULA:C21H26N6O2

SMILES: COc1cccc(-c2cc(NCCc3cc(C)n[nH]3)nc(N3CCOCC3)n2)c1

BIRTHDAY: 2018-11-19T08:12:39.152064
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING 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: 2018-11-19T08:12:39.161607
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C14H15F2N5O2

SMILES: C[C@H](Nc1cc(N)[n+]([O-])cn1)C(=O)NCc1ccc(F)c(F)c1

BIRTHDAY: 2018-11-19T08:12:39.170441
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C18H18N4O3

SMILES: COc1ccccc1-c1nccc2nc(N3CCOCC3)[nH]c(=O)c12

BIRTHDAY: 2018-11-19T08:12:39.189574
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C20H21ClN4O3

SMILES: C[C@H](Nc1ncc2c(n1)CC1(c3cccc(Cl)c3)CC2C1)C(=O)NCC(=O)O

BIRTHDAY: 2018-11-19T08:12:39.211666
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C31H30N4O4S

SMILES: O=C(c1c2c(nn1-c1ccccc1-c1ccccn1)[S@H]1CCOC=COC[C@]13C=CC=CC3=C2)N1CCOCC1

BIRTHDAY: 2018-11-19T08:12:39.224288
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C25H20FN9O

SMILES: C[C@@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@]12C=CC=C[C@]1(F)N(c1ccccn1)C=NC2=O

BIRTHDAY: 2018-11-19T08:12:39.236933
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C14H22N2

SMILES: CC1=CC=CC2=C([C@H](C)N(C)C)[C@@H](C)N[C@H]12

BIRTHDAY: 2018-11-19T08:12:39.243206
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C23H25N5O3

SMILES: COc1cccc(-c2nc(NCCc3ccccn3)ncc2C(=O)N2CCOCC2)c1

BIRTHDAY: 2018-11-19T08:12:39.252982
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C18H15N3O3S

SMILES: COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cncs2)c1

BIRTHDAY: 2018-11-19T08:12:39.272503
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H26F3NO2S

SMILES: Cc1cc(C)c(C)c(NC(=O)C2=CC=C[S@]23C=C2C=CC=C[C@]2(C(F)(F)F)C(C)(C)C3=O)c1

BIRTHDAY: 2018-11-19T08:12:39.282798
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C32H34N8O3

SMILES: COc1ccncc1Nc1ccncc1[C@]1(N)OCCC(=O)c2cccc(c2)C[C@H]2C=NN[C@@]2(N)NCc2cccc1c2

BIRTHDAY: 2018-11-19T08:12:39.309617
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@@H]3CC(=O)N(C4CC4)c4ccc(Cl)cc43)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:12:39.320213
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H19N5O3

SMILES: CC1=NC(=O)O[C@H]1c1cc(N[C@@H](C(=O)c2ccccc2)C2CC2)nc(N)n1

BIRTHDAY: 2018-11-19T08:12:39.330155
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C26H21FN8O

SMILES: C[C@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@@]12C=CC=C[C@@]1(F)N(c1ccccc1)C=NC2=O

BIRTHDAY: 2018-11-19T08:12:39.342427
ATC: M09A
- MUSCULO-SKELETAL SYSTEM
- OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
- OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
Synthesis Plan
FORMULA:C18H16N2O2S2

SMILES: O=c1sc(-c2ccc(-c3ccccn3)cc2)c(N2CCOCC2)s1

BIRTHDAY: 2018-11-19T08:12:39.350926
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@]34C=CC=C(Cl)[C@H]3C(=O)N(C3CC3)C=C4)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:12:39.374179
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C26H22N4O4S

SMILES: O=C(c1nn(-c2ccc(-c3ccccn3)cc2)c2c1C=C1C=CC=C[C@@H]1S2(=O)=O)N1CCOCC1

BIRTHDAY: 2018-11-19T08:12:39.397323
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C25H20ClN9O

SMILES: C[C@@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@]12C=CC=C[C@]1(Cl)N=CN(c1ccccn1)C2=O

BIRTHDAY: 2018-11-19T08:12:39.410174
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H18ClN9O

SMILES: C[C@@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1

BIRTHDAY: 2018-11-19T08:12:39.435839
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C25H20ClN9O

SMILES: C[C@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@@]12C=CC=C[C@@]1(Cl)N(c1ccccn1)C=NC2=O

BIRTHDAY: 2018-11-19T08:12:39.448300
ATC: P03A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES
Synthesis Plan
FORMULA:C28H25N5O4S2

SMILES: O=C(c1nn(-c2ccc(-c3cccnc3)cc2)c2c1[C@@]1(CNS(=O)(=O)C1)Sc1ccccc1-2)N1CCOCC1

BIRTHDAY: 2018-11-19T08:12:39.461666
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1nc(-c2cnc(N)nc2N[C@@H](C)[C@H]2Cc3c(Cl)cccc3N(C3CC3)C2=O)no1

BIRTHDAY: 2018-11-19T08:12:39.472893
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C18H23N3OS

SMILES: CN1CC2=COCCCCCN3Cc4cccc(c4S3)C(=N2)C1

BIRTHDAY: 2018-11-19T08:12:39.481104
ATC: V09X
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- OTHER DIAGNOSTIC RADIOPHARMACEUTICALS
Synthesis Plan
FORMULA:C23H23ClN4O3

SMILES: COc1ccccc1-c1c(NCc2cccc(Cl)c2)ncnc1C(=O)N1CCOCC1

BIRTHDAY: 2018-11-19T08:12:39.490851
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C26H29N5O4S

SMILES: NC1(c2cccc(-n3nc(C(=O)N4CCOCC4)c4c3S(=O)(=O)Cc3ccccc3-4)c2)CCNCC1

BIRTHDAY: 2018-11-19T08:12:39.502313
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C22H28N6O3

SMILES: CN(C)CCCC(=O)Nc1ccc2c(cnc3nc(CN4CCOCC4)[nH]c(=O)c32)c1

BIRTHDAY: 2018-11-19T08:12:39.512114
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C25H20FN9O

SMILES: C[C@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@]12C=CC=C[C@@]1(F)N(c1ccccn1)C=NC2=O

BIRTHDAY: 2018-11-19T08:12:39.524578
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C25H20ClN9O

SMILES: C[C@@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@@]12C=CC=C[C@@]1(Cl)N(c1ccccn1)C=NC2=O

BIRTHDAY: 2018-11-19T08:12:39.548394
ATC: P03A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES
Synthesis Plan
FORMULA:C20H18N4O

SMILES: COc1ccc(-c2nc(N[C@H](C)c3ccccc3)ncc2C#N)cc1

BIRTHDAY: 2018-11-19T08:12:39.568034
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@H](C)[C@@H]3CN(C4CC4)c4ccc(Cl)cc4C3=O)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:12:39.578640
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C21H27N7O3

SMILES: CC(C)N1CCO[C@@](C)(Nc2ncc(N)c(C#Cc3cnccn3)n2)C(=O)[C@@](C)(O)C1

BIRTHDAY: 2018-11-19T08:12:39.589118
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@H](C)[C@]34C=C(Cl)C=CC3=CN(C3CC3)C(=O)C4)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:12:39.599833
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H22FN7O

SMILES: C[C@@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@]12CC(=O)N(C3CC3)C=C1C=CC=C2F

BIRTHDAY: 2018-11-19T08:12:39.611284
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C20H18N4O

SMILES: COc1ccc(-c2c(C#N)ncnc2N[C@H](C)c2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:12:39.619558
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H16F6N2O3

SMILES: COc1ccc(C(F)(F)F)cc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-11-19T08:12:39.630796
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C22H18F3N3O4S

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

BIRTHDAY: 2018-11-19T08:12:39.642313
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:C16H24F2N4O2

SMILES: CN(C)CCCNC(=O)c1ccc(C(F)F)nc1N1CCOCC1

BIRTHDAY: 2018-11-19T08:12:39.661472
ATC: J01E
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- SULFONAMIDES AND TRIMETHOPRIM
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@H](C)[C@@]34C=CC=C[C@]3(Cl)C(=O)N(C3CC3)C=C4)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:12:39.672178
ATC: N04A
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- ANTICHOLINERGIC AGENTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@]34C=CC=C[C@]3(Cl)C=CN(C3CC3)C4=O)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:12:39.683748
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@H]3CN(C4CC4)c4ccc(Cl)cc4C3=O)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:12:39.694353
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@H]3C(=O)N(C4CC4)C=C4C=CC=C[C@@]43Cl)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:12:39.715673
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C22H14F6N2O3

SMILES: O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(OC(F)(F)F)c1

BIRTHDAY: 2018-11-19T08:12:39.727406
ATC: R03B
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
Synthesis Plan
FORMULA:C12H14ClNO2S

SMILES: C[C@@H]1C=CS(=O)(=O)C[C@@H](c2ccc(Cl)cc2)N1

BIRTHDAY: 2018-11-30T17:22:48.785885
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C20H18N4O

SMILES: COc1ccccc1-c1nc(N[C@@H](C)c2ccccc2)ncc1C#N

BIRTHDAY: 2018-11-30T17:22:48.794247
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C22H18N4O4S

SMILES: N#Cc1ccc(-n2nc3c(c2C(=O)N2CCOCC2)S(=O)(=O)[C@H]2C=CC=CC2=C3)cc1

BIRTHDAY: 2018-11-30T17:22:48.825687
ATC: P02D
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTICESTODALS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@H](C)[C@H]3C(=O)N(C4CC4)C=C4C=CC=C[C@@]43Cl)c(N)n2)n1

BIRTHDAY: 2018-11-30T17:22:48.836269
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C22H24ClN5O3S

SMILES: C[C@H](c1nc2cc(-c3ccc(Cl)cc3)sc2c(=O)n1[C@@H]1CNCCO1)N1CC(C(N)=O)C1

BIRTHDAY: 2018-11-30T17:22:48.880308
ATC: B02A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIHEMORRHAGICS
- ANTIFIBRINOLYTICS
Synthesis Plan
FORMULA:C21H20ClN7O2

SMILES: Cc1nc(-c2cnc(N[C@@H](C)c3cn(C4CC4)c(=O)c4c(Cl)cccc34)nc2N)no1

BIRTHDAY: 2018-11-30T17:22:48.890907
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C27H31FN8O4

SMILES: CC(C)Nc1cnc(C(=O)N2CCOCC2)nc1N[C@@H](CO)[C@@]12C=CC=C(F)[C@@H]1N(c1ccccn1)C=NC2=O

BIRTHDAY: 2018-11-30T17:22:48.904813
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C20H18F3N3O

SMILES: COc1ccccc1-c1cnc(C(F)(F)F)nc1NCc1cccc(C)c1

BIRTHDAY: 2018-12-02T16:05:57.270482
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C25H18FN9O

SMILES: C[C@@H](Nc1cc(N)nc(C#Cc2cnccn2)n1)c1nc(=O)c2cc(F)ccc2n1-c1ccncc1

BIRTHDAY: 2018-12-02T16:05:57.282486
ATC: N06D
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTI-DEMENTIA DRUGS
Synthesis Plan
FORMULA:C22H18N4O4S

SMILES: N#Cc1ccccc1-n1nc(C(=O)N2CCOCC2)c2c1S(=O)(=O)[C@@H]1C=CC=CC1=C2

BIRTHDAY: 2018-12-02T16:05:57.293181
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@@]34C=CC=C[C@@]3(Cl)C=CN(C3CC3)C4=O)c(N)n2)n1

BIRTHDAY: 2018-12-02T16:05:57.304819
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C22H17FN8

SMILES: C[C@H](Nc1cnc(C#N)nc1N)[C@@]12C=CC(F)=CC1=CC=N[C@@]2(C#N)c1ccccn1

BIRTHDAY: 2018-12-02T16:05:57.365967
ATC: C02D
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@H](C)[C@@H]3Cc4cc(Cl)ccc4N(C4CC4)C3=O)c(N)n2)n1

BIRTHDAY: 2018-12-02T16:05:57.387523
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C16H18F4N2O3

SMILES: O=C(N1CCOCC1)[C@]1(c2c(F)c(F)cc(F)c2F)CCNCCO1

BIRTHDAY: 2018-12-02T16:05:57.420128
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C31H34FN11O

SMILES: C[C@@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@]12C=CC=C(F)[C@]1(N1CCCCCCc3nc(c[nH]3)CC1)NC=NC2=O

BIRTHDAY: 2018-12-03T10:42:18.927258
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C19H17F3N4O

SMILES: COc1cccc(-c2cnc(-c3cccnc3)nc2N[C@H](C)C(F)(F)F)c1

BIRTHDAY: 2018-12-03T10:42:18.947852
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H14F4N2O2

SMILES: O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1F

BIRTHDAY: 2018-12-03T10:42:18.957856
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C30H41N5O

SMILES: COc1cccc(-c2ncc(NCc3ccccc3C)c([C@H]3CCCNCCCCCCNC3)n2)c1

BIRTHDAY: 2018-12-03T10:42:18.979226
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C20H26N4O4S

SMILES: C[C@H](Cn1nc2c(c1C(=O)N1CCOCC1)S(=O)(=O)[C@H]1C=CC=CC1=C2)N(C)C

BIRTHDAY: 2018-12-03T10:42:18.989432
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C16H23F3N4O2

SMILES: CN(C)C(C)(C)NC(=O)c1nccc(C(F)(F)F)c1N1CCOCC1

BIRTHDAY: 2018-12-03T10:42:18.998576
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C22H17F2N7O

SMILES: Cc1cccc2nc([C@@H](C)Nc3ncnc(N)c3C#N)c(-c3ccc(F)c(F)c3)c(=O)n12

BIRTHDAY: 2018-12-03T10:42:19.009512
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C25H20FN9O

SMILES: C[C@@H](Nc1cnc(N)nc1C#Cc1cnccn1)[C@]12C=CC=C[C@@]1(F)N=CN(c1ccncc1)C2=O

BIRTHDAY: 2018-12-03T19:10:44.541918
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C22H24N4O

SMILES: COc1cccc(-c2nc(N[C@@H](C)c3ccccc3)nc3c2N3C(C)C)c1

BIRTHDAY: 2018-12-03T19:10:44.551079
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C21H24N10O

SMILES: Cc1nc(N)nc(-n2c(Nc3cc(N4[C@@H]5CCC[C@@H]4COC5)n[nH]3)nc3ccccc32)n1

BIRTHDAY: 2018-12-03T19:10:44.562696
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@H]3CC(=O)N(C4CC4)c4cc(Cl)ccc43)c(N)n2)n1

BIRTHDAY: 2018-12-03T19:10:44.586063
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H27N7O3

SMILES: CN(C)C(C)(C)C(=O)Nc1cccc2c1cnc1c(=O)[nH]c([C@@]3(N)COCCN3)nc12

BIRTHDAY: 2018-12-03T19:10:44.596838
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C26H29N3O5

SMILES: COc1cccc(C(=O)Nc2cccc(C)c2[C@@]23C=C[C@@H](CC[C@@H]2C(=O)N[C@@H](C)C(=O)O)N3)c1

BIRTHDAY: 2018-12-03T19:10:44.619186
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H18FN9O

SMILES: C[C@@H](Nc1nc(C#Cc2cnccn2)ncc1N)c1nc(=O)c2cc(F)ccc2n1-c1cccnc1

BIRTHDAY: 2018-12-03T19:10:44.644092
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C34H35N3O5

SMILES: COc1cccc(C(=O)N2CCc3cccc(c3)OC[C@@H](C(=O)NCc3ccncc3)CCOc3cccc(c3)C2)c1

BIRTHDAY: 2018-12-03T19:10:44.666058
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C20H26N4O4S

SMILES: CN(C)C(C)(C)n1nc2c(c1C(=O)N1CCOCC1)S(=O)(=O)[C@H]1C=CC=CC1=C2

BIRTHDAY: 2018-12-03T19:10:44.689670
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C20H25N9O2

SMILES: COc1ccnc(Nc2ccc(-c3nc(C)nc(N)n3)nc2[C@]2(N)NCC[C@@]2(C)O)c1

BIRTHDAY: 2018-12-03T19:10:44.714705
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H21N7

SMILES: C[C@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@@]12C=CC=CC1=CC=CC=CN2

BIRTHDAY: 2018-12-01T22:29:49.126202
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:C25H20FN9O

SMILES: C[C@@H](Nc1cnc(C#Cc2cnccn2)nc1N)[C@]12C=CC=C[C@]1(F)N(c1ccncc1)C=NC2=O

BIRTHDAY: 2018-12-01T22:29:49.151254
ATC: M09A
- MUSCULO-SKELETAL SYSTEM
- OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
- OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
Synthesis Plan
FORMULA:C20H26N4O4S

SMILES: CN(C)CCCn1nc(C(=O)N2CCOCC2)c2c1CS(=O)(=O)c1ccccc1-2

BIRTHDAY: 2018-12-01T22:29:49.161263
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C21H27N9O2

SMILES: Cc1nc(-c2ncc(N[C@H](C)[C@@H]3C(=O)CN(C4CC4)C4=C3CN=CNCC4)c(N)n2)no1

BIRTHDAY: 2018-12-01T22:29:49.204149
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C25H21ClN8O3

SMILES: C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)C1=N[C@@]23C=CC(Cl)=C[C@@]2(C(=O)N1)[C@@H]1C=C[C@@](O)(C3)O1

BIRTHDAY: 2018-12-01T22:29:49.241163
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan