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 delta isoform

Potentially involved in: carcinoma; schizophrenia; atrial fibrillation; long qt syndrome; brugada syndrome; progressive supranuclear palsy; multiple system atrophy; cancer; bronchiectasis; cellulitis; immunologic deficiency syndromes; prostatic neoplasms; splenomegaly; diffuse large b-cell lymphoma; hypogammaglobulinemia; skin diseases, bacterial; malignant lymphoma, lymphocytic, intermediate differentiation, diffuse; lymphadenopathy; recurrent sinopulmonary infections; activated pi3k-delta syndrome

Disease data sourced from Pharos.

Inhibitor

FORMULA:C21H22ClN7O2

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

BIRTHDAY: 2018-12-01T14:10:48.558908
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H30N6O2

SMILES: CC(C)n1nc(-c2cc(Nc3cnccc3OC(C)(C)N3CCCC3)ccn2)ccc1=O

BIRTHDAY: 2018-12-01T14:10:48.568637
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C18H20N6O3

SMILES: N[C@]12OC=N[C@@H]1C=CC=C2[C@]12NC=CC=C1N=C(C(=O)N1CCOCC1)N2

BIRTHDAY: 2018-12-01T14:10:48.578911
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:C21H22ClN7O2

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

BIRTHDAY: 2018-12-01T14:10:48.589371
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H30N8O3S

SMILES: CS(=O)(=O)N[C@@H]1CCCN(c2cccc(-n3ncc4cnc(-c5ccc(N6CCOCC6)nc5)cc43)n2)C1

BIRTHDAY: 2018-12-01T14:10:48.602189
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C18H20N6O3

SMILES: N[C@]12C=CC=C[C@]1(C1=CN[C@H]3N=C(C(=O)N4CCOCC4)NC3=C1)N=CO2

BIRTHDAY: 2018-12-01T14:10:48.611878
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C17H13N3O3

SMILES: N#Cc1ccc(Nc2nc3cc4c(cc3o2)OCCCO4)cc1

BIRTHDAY: 2018-12-01T14:10:48.619973
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:C21H22ClN7O2

SMILES: Cc1noc(-c2cnc(N)nc2N[C@H](C)[C@@H]2C(=O)[C@H]3C=C(Cl)C=CC3=CN2C2CC2)n1

BIRTHDAY: 2018-12-01T14:10:48.631360
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C23H32F2N6S2

SMILES: C[C@@H](Nc1nc(N)c2c(n1)SSCCCNCCN(Cc1c(F)cccc1F)CC2)C1CC1

BIRTHDAY: 2018-12-01T14:10:48.642045
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C25H24ClN7O3

SMILES: C[C@H](Nc1ncnc(N)c1C(=O)N1CCOCC1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1

BIRTHDAY: 2018-12-01T14:10:48.653826
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C21H20ClN7O2

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

BIRTHDAY: 2018-12-01T14:10:48.665743
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@@]34C=CC=C[C@]3(Cl)C(=O)N(C3CC3)C=C4)c(N)n2)n1

BIRTHDAY: 2018-12-01T14:10:48.687486
ATC: N04A
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- ANTICHOLINERGIC AGENTS
Synthesis Plan
FORMULA:C21H21FeN7O2

SMILES: Cc1noc(-c2ncnc(N)c2N[C@@H](C)[C@@]23C=C[C-]=[C-]C2=CN(C2CC2)C(=O)C3)n1.[Fe+2]

BIRTHDAY: 2018-12-01T14:10:48.699678
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@]34C=CC=C[C@@]3(Cl)N(C3CC3)C=CC4=O)c(N)n2)n1

BIRTHDAY: 2018-12-25T02:02:51.464759
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C18H20N6O3

SMILES: N[C@]12OC=N[C@H]1C=CC=C2[C@H]1C=Cc2nc(C(=O)N3CCOCC3)[nH]c2N1

BIRTHDAY: 2018-12-25T02:02:51.474661
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C18H20N6O3

SMILES: N[C@]12C=CC=C[C@@]1([C@@]13NC=CC=C1N=C(C(=O)N1CCOCC1)N3)N=CO2

BIRTHDAY: 2018-12-25T02:02:51.485366
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H20N6O3

SMILES: N[C@]12C=CC=C[C@]1([C@@]13NC=CC=C1N=C(C(=O)N1CCOCC1)N3)N=CO2

BIRTHDAY: 2018-12-25T02:02:51.518878
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H22N10O2

SMILES: Cc1nc(-c2ncc(N[C@@H](C)[C@@]34C=CC=C5C=NN=N[C@@]53C=CN(C3CC3)C4=O)c(N)n2)no1

BIRTHDAY: 2018-12-25T02:02:51.531004
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
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: 2018-12-25T02:02:51.541885
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
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: 2018-12-25T02:02:51.552744
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
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: 2018-12-25T02:02:51.563781
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H23F3N4O3

SMILES: COc1ccccc1C(=O)Nc1c(C)cccc1-c1c(N2CCOCC2)ncnc1C(F)(F)F

BIRTHDAY: 2018-12-25T02:02:51.609158
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C25H26ClN7O3

SMILES: C[C@@H](Nc1cnc(C(=O)N2CCOCC2)nc1N)[C@]12C=CC=C[C@]1(Cl)N=CN(c1ccccc1)C2=O

BIRTHDAY: 2018-12-03T02:38:55.481877
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
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: 2018-12-03T02:38:55.492768
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C17H19N7O3S

SMILES: Cc1nc(-c2ncc(N[C@@H](C)[C@@H]3C=CN[C@@]4(SCCC4=O)C3=O)c(N)n2)no1

BIRTHDAY: 2018-12-03T02:38:55.014607
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H29N7O3

SMILES: Cc1noc(-c2nc(N)ncc2N[C@@]2(C)OCCN(C3CC3)C(=O)C[C@@H]2C(C)C)n1

BIRTHDAY: 2018-12-03T02:38:55.025171
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
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: 2018-12-03T02:38:55.036822
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C22H18F3N3O4S

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

BIRTHDAY: 2018-12-03T02:38:55.048738
ATC: P02D
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTICESTODALS
Synthesis Plan
FORMULA:C25H26ClN7O3

SMILES: C[C@H](Nc1cnc(C(=O)N2CCOCC2)nc1N)[C@@]12C=CC=C[C@@]1(Cl)N=CN(c1ccccc1)C2=O

BIRTHDAY: 2018-12-03T02:38:55.073044
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C19H19N5O3

SMILES: N[C@@]12C=CC(c3ccc4ncc(C(=O)N5CCOCC5)n4c3)=C[C@H]1OC=N2

BIRTHDAY: 2018-12-03T02:38:55.093727
ATC: M02A
- MUSCULO-SKELETAL SYSTEM
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
- TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
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: 2018-12-03T02:38:55.104521
ATC: N04A
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- ANTICHOLINERGIC AGENTS
Synthesis Plan
FORMULA:C21H22ClN7O2

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

BIRTHDAY: 2018-12-03T02:38:55.115991
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C20H20ClN9O

SMILES: CC1=CN2C(=C([C@H](C)Nc3ncnc(N)c3-c3noc(C)n3)Nc3cccc(Cl)c32)N1

BIRTHDAY: 2018-12-03T02:38:55.127431
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H27N5O5S

SMILES: N[C@]1(c2ccccc2-n2nc(C(=O)N3CCOCC3)c3c2S(=O)(=O)[C@@H]2C=CC=CC2=C3)COCCN1

BIRTHDAY: 2018-12-03T02:38:55.150913
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@H](C)[C@]34C=CC(Cl)=C[C@@H]3N(C3CC3)C=CC4=O)c(N)n2)n1

BIRTHDAY: 2018-11-30T03:40:52.509764
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C21H20ClN7O2

SMILES: Cc1nc(-c2cnc(N[C@H](C)c3cc4cccc(Cl)c4c(=O)n3C3CC3)nc2N)no1

BIRTHDAY: 2018-11-30T03:40:52.520487
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H33N3O2

SMILES: CC(C)N(C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc(N2CCOCC2)c1

BIRTHDAY: 2018-11-30T03:40:52.540500
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C18H20N6O3

SMILES: N[C@@]12C=CC=C[C@@]1([C@]13NC=CC=C1N=C(C(=O)N1CCOCC1)N3)N=CO2

BIRTHDAY: 2018-11-30T03:40:52.551024
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C14H14N8O

SMILES: COc1ccncc1Nc1cnc(-c2nc(C)nc(N)n2)nc1

BIRTHDAY: 2018-11-30T03:40:52.560066
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@]34C=C(Cl)C=C[C@@H]3N(C3CC3)C=CC4=O)c(N)n2)n1

BIRTHDAY: 2018-11-30T03:40:52.571439
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H33N

SMILES: C[C@@H](c1ccccc1)C1([C@@H](C)c2ccccc2)C[C@@H]2CN3CCC2[C@H](C3)C1

BIRTHDAY: 2018-11-30T03:40:52.590731
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C16H23N5O3S

SMILES: C[C@]12C=C[C@@H](CC1)[SH]2(=O)Nc1cnc(C(=O)N2CCOCC2)nc1N

BIRTHDAY: 2018-11-30T03:40:52.610896
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C21H25N7O3

SMILES: COc1ccnc(Nc2c(-c3ccncc3N[C@@H](C)O)ncnc2N2CCOCC2)c1

BIRTHDAY: 2018-11-30T03:40:52.622764
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C34H39N7O3

SMILES: CC(C)n1ncnc1-c1c2ccc3cccc(c13)CNC[C@@]1(C(C)(C)C)C=CNN1CC(=O)C(=O)NCc1cccc(c1)O2

BIRTHDAY: 2018-11-30T03:40:52.636007
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C18H20N6O3

SMILES: N[C@]12OC=N[C@H]1C=CC=C2[C@H]1NC=Cc2nc(C(=O)N3CCOCC3)[nH]c21

BIRTHDAY: 2018-11-19T08:15:01.976187
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C19H17N5O3

SMILES: Nc1nc2cccc(-c3cccn4c(C(=O)N5CCOCC5)cnc34)c2o1

BIRTHDAY: 2018-11-19T08:15:01.985789
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C19H23F5N6O3S

SMILES: COc1ccncc1Nc1ccnc([C@]2(N)CNCC[C@H]2NS(=O)(=O)C(F)(F)C(F)(F)F)c1C

BIRTHDAY: 2018-11-19T08:15:02.020050
ATC: M03B
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@]34C=CC(Cl)=CC3=CN(C3CC3)CC4=O)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:15:02.031732
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C18H20N6O3

SMILES: N[C@@]12C=C([C@@]34NC=CC=C3N=C(C(=O)N3CCOCC3)N4)C=C[C@@H]1N=CO2

BIRTHDAY: 2018-11-19T08:15:02.042011
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C21H27N5O2

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

BIRTHDAY: 2018-11-19T08:15:02.051066
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2nc(N)cc(N[C@@H](C)[C@H]3CC(=O)N(C4CC4)c4ccc(Cl)cc43)n2)n1

BIRTHDAY: 2018-11-19T08:15:02.061932
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C21H16ClN3O3

SMILES: CNC(=O)c1cc(C#N)c(-c2ccccc2OC)c(=O)n1-c1cccc(Cl)c1

BIRTHDAY: 2018-11-19T08:15:02.071382
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]3CC(=O)N(C4CC4)c4ccc(Cl)cc43)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:15:02.082087
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C18H20N6O3

SMILES: N[C@@]12OC=N[C@H]1C=CC=C2[C@@]12NC=CC=C1N=C(C(=O)N1CCOCC1)N2

BIRTHDAY: 2018-11-19T08:15:02.092579
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:C5H9NOS5

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

BIRTHDAY: 2018-11-19T08:15:02.099787
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H39N7O2

SMILES: CC(C)n1cnc(-c2nc3c([nH]2)N[C@@H]2C=CC=C[C@]2(C(C)(C)C(=O)NC(C)(C)C(C)(C)C)CO3)n1

BIRTHDAY: 2018-11-19T08:15:02.110830
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H27N5O5S

SMILES: N[C@@]1(c2ccccc2-n2nc(C(=O)N3CCOCC3)c3c2S(=O)(=O)[C@@H]2C=CC=CC2=C3)COCCN1

BIRTHDAY: 2018-11-19T08:15:02.133820
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C25H25N7O2

SMILES: COc1cccc(-c2cnc(N[C@H](C)C3=NNC(=O)[C@@]4(c5ccccc5)NC(C)=CN34)nc2)c1

BIRTHDAY: 2018-11-19T08:15:02.145108
ATC: S01L
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OCULAR VASCULAR DISORDER 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: 2018-11-19T08:15:02.156764
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C29H33N7O3S

SMILES: N[C@]1(c2ccccc2-n2nc(C(=O)N3CCOCC3)c3c2S[C@]2(c4ccccc4-3)C3CNC2NC3)CNCCO1

BIRTHDAY: 2018-11-19T08:15:02.170011
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@@]34C=C(Cl)C=CC3=CN(C3CC3)CC4=O)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:15:02.181624
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C20H25N5O2

SMILES: Nc1nc2cc(-c3ccc4cc3NCCOCCNCCCN4)ccc2o1

BIRTHDAY: 2018-11-19T08:15:02.190669
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C30H33ClN8O5

SMILES: C[C@H](Nc1nc(N[C@H](C)[C@@H]2COCCO2)ncc1C(=O)N1CCOCC1)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1

BIRTHDAY: 2018-11-19T08:15:02.205794
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C18H24N6O3

SMILES: COc1ccnc(Nc2c(N3CCOCC3)ncnc2N2CCOCC2)c1

BIRTHDAY: 2018-11-19T08:15:02.216786
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C18H30N6O8S

SMILES: CC(=O)Nc1nc(N)c2c(n1)NC[C@@H]([C@H]1COCCOCCOCCOCCO1)S(=O)(=O)N2

BIRTHDAY: 2018-11-19T08:15:02.229030
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C21H22ClN7O2

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

BIRTHDAY: 2018-11-19T08:15:02.240402
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C27H23N3O4S

SMILES: O=C(c1nn(-c2ccc(-c3ccccc3)cc2)c2c1C=C1C=CC=C[C@@H]1S2(=O)=O)N1CCOCC1

BIRTHDAY: 2018-11-19T08:15:02.251532
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C20H25F4N5O3S

SMILES: COc1ccc(Nc2cc(C)c(CN3CCC[C@@H](NS(=O)(=O)C(F)(F)C(F)F)C3)cn2)cn1

BIRTHDAY: 2018-11-19T08:15:02.264036
ATC: G02C
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- OTHER GYNECOLOGICALS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@H](C)[C@]34C=CC=C(Cl)[C@H]3N(C3CC3)C=CC4=O)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:15:02.275549
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:C19H29N7O3

SMILES: C[C@@H](Nc1nc(N)c2c(n1)OC(C)(C)OC1(CCOCC1)CN2)c1cncn1C

BIRTHDAY: 2018-11-19T08:15:02.307410
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C21H26N4O3

SMILES: COc1ccc(-c2cnc3c(C)cn(C(C)(C)N4CCOCC4)n3c2=O)cc1

BIRTHDAY: 2018-11-19T08:15:02.328184
ATC: D06B
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C26H22N4O4S

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

BIRTHDAY: 2018-11-19T08:15:02.339622
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C17H20N6O2

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

BIRTHDAY: 2018-11-19T08:15:02.349178
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H20F2N4O4S

SMILES: COc1ccc(-c2cccc3nc(-c4cccc(NS(=O)(=O)C(F)F)c4)c(CC(N)=O)n23)cc1

BIRTHDAY: 2018-11-19T08:15:02.362020
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C25H25N7O2

SMILES: COc1ccc(-c2cnc(N[C@H](C)C3=NNC(=O)[C@@]4(c5ccccc5)CC=CNN34)nc2)cc1

BIRTHDAY: 2018-11-19T08:15:02.373472
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@]34C=CC=C[C@]3(Cl)C=CN(C3CC3)C4=O)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:15:02.396494
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C25H27N5O5S

SMILES: N[C@@]1(c2ccccc2-n2nc3c(c2C(=O)N2CCOCC2)S(=O)(=O)[C@@H]2C=CC=CC2=C3)COCCN1

BIRTHDAY: 2018-11-19T08:15:02.409212
ATC: P02D
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTICESTODALS
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: 2018-11-19T08:15:02.432580
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C25H31N9O2

SMILES: CC(=O)N1CCCC[C@H]1n1nccc1[C@]12C=CC=C[C@@H]1Nc1[nH]c(-c3ncn(C(C)C)n3)nc1OC2

BIRTHDAY: 2018-11-19T08:15:02.445441
ATC: A11D
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Synthesis Plan
FORMULA:C21H23N9O2

SMILES: COc1ccc(-c2cnc(N[C@H](C)C3=NN[C@](C)(C#N)C(=O)N3)nc2NCCC#N)cc1

BIRTHDAY: 2018-11-19T08:15:02.456752
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C21H25N7O2

SMILES: Cc1nc(-c2ncc(N[C@@H](C)[C@@H]3C=CN(C4CC4)C(=O)C34C3CC4C3)c(N)n2)no1

BIRTHDAY: 2018-11-19T08:15:02.467021
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@]34C=CC=C[C@]3(Cl)C=CN(C3CC3)C4=O)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:15:02.489586
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: 2018-11-19T08:15:02.500353
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]3Cc4cc(Cl)ccc4N(C4CC4)C3=O)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:15:02.511116
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]3C(=O)N(C4CC4)C=C4C=CC=C[C@@]43Cl)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:15:02.521963
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@H](C)[C@@]34C=CC=C[C@]3(Cl)N(C3CC3)C=CC4=O)c(N)n2)n1

BIRTHDAY: 2018-11-19T08:15:02.533409
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H24F3N9O

SMILES: COc1ccnc(Nc2c([C@@]3(N)CCN[C@@H](C(F)(F)F)C3)ccnc2-c2nc(C)nc(N)n2)c1

BIRTHDAY: 2018-11-30T17:23:14.067615
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@]34C(=O)C=CN(C5CC5)[C@H]3C=CC=C4Cl)c(N)n2)n1

BIRTHDAY: 2018-11-30T17:23:14.089410
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C16H23N7O

SMILES: Cc1nc(-c2ncc(N[C@]3(C)C4CCCN3CCC4)c(N)n2)no1

BIRTHDAY: 2018-11-30T17:23:14.109660
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C19H19N3O3

SMILES: COc1ccc(-c2cn3cc(C(=O)N4CCOCC4)ccc3n2)cc1

BIRTHDAY: 2018-11-30T17:23:14.129318
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C24H28N8O3S

SMILES: CC1=CN([C@H]2CC=C([C@H](C)Nc3ncnc(N)c3-c3nc(C)no3)N(C3CC3)C2=O)C(=O)SC12CC2

BIRTHDAY: 2018-11-30T17:23:14.141359
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@]34C=CC=C(Cl)[C@H]3N(C3CC3)C=CC4=O)c(N)n2)n1

BIRTHDAY: 2018-11-30T17:23:14.173907
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:C21H27N9O2S2

SMILES: Cc1noc(-c2c(N)ncnc2N[C@H](C)[C@H]2C(=O)[C@@]34NC(C)(C)[C@@H](NC3=CN2C2CC2)SS4)n1

BIRTHDAY: 2018-11-30T17:23:14.186300
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H27N7O3

SMILES: C[C@H](Nc1nc(N2CCOCC2)c2c(ncn2C(=O)N2CCOCC2)n1)c1ccccc1

BIRTHDAY: 2018-12-02T16:06:22.383332
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:C21H20ClN7O2

SMILES: Cc1nc(-c2cc(N)nc(N[C@H](C)c3cc4cc(Cl)ccc4c(=O)n3C3CC3)n2)no1

BIRTHDAY: 2018-12-02T16:06:22.394156
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C18H20N6O3

SMILES: N[C@@]12C=CC=C[C@@]1([C@@]13NC=CC=C1N=C(C(=O)N1CCOCC1)N3)N=CO2

BIRTHDAY: 2018-12-02T16:06:22.416259
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H20F6N4O

SMILES: Cc1ncnc(-c2cccc(N3CCOCC3)c2C(F)(F)F)c1N[C@H](C)C(F)(F)F

BIRTHDAY: 2018-12-02T16:06:22.449001
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H22ClN7O2

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

BIRTHDAY: 2018-12-02T16:06:22.471047
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C25H29N5O5S

SMILES: N[C@@]1(c2cccc(-n3nc(C(=O)N4CCOCC4)c4c3[C@@H]3C=CC=C[C@@H]3S(=O)(=O)C4)c2)CNCCO1

BIRTHDAY: 2018-12-02T16:06:22.483193
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C21H28N8O2

SMILES: Cc1noc(-c2cnc(N[C@H](C3CC3)[C@H]3N[C@H]4CC[C@@H]3CN(C3CC3)C4=O)nc2N)n1

BIRTHDAY: 2018-12-02T16:06:22.504842
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C43H48N8O2

SMILES: N[C@]12C=CC=C[C@@]1(C1=CC=CN3C=CN[C@@]13[C@@]13C=CCCCN[C@@]14C1=CC=C3Oc3cccc(c3)CNCCCN[C@@H]3CCN(C3)C4=CC=C1)N=CO2

BIRTHDAY: 2018-12-02T16:06:22.522866
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C18H24N6O3

SMILES: COc1ccncc1Nc1ccnc([C@]2(N)CNCC[C@@H]2N(O)C(C)=O)c1

BIRTHDAY: 2018-12-02T16:06:22.532494
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@H](C)[C@@]34C=C(Cl)C=C[C@@H]3N(C3CC3)C=CC4=O)c(N)n2)n1

BIRTHDAY: 2018-12-03T10:42:43.985825
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C35H33N9O5S

SMILES: Cc1noc(-c2cnc(N[C@H](C)C3=CN([C@H]4CCCOc5cccc(c5)Sc5cc(ncn5)-c5cccc(c5)OC4)C(=O)CC3=O)nc2N)n1

BIRTHDAY: 2018-12-03T10:42:44.001657
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C30H35N13O3S

SMILES: Cc1noc(-c2ncnc(N)c2N[C@@H](C)[C@@]2(N3CCCNCCNC[C@H]4CSC(=N4)c4ccnc(c4)C3)C=CN(C#N)C(=O)C2=O)n1

BIRTHDAY: 2018-12-03T10:42:44.017787
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C21H22ClN7O2

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

BIRTHDAY: 2018-12-03T10:42:44.040036
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@]34CC(=O)N(C5CC5)C=C3C=CC=C4Cl)c(N)n2)n1

BIRTHDAY: 2018-12-03T10:42:44.051523
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C19H23N9O2

SMILES: COc1ccnc(Nc2ccnc(-c3nc(C)nc(N)n3)c2[C@@]2(N)CNCCO2)c1

BIRTHDAY: 2018-12-03T10:42:44.084387
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
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: 2018-12-03T10:42:44.095221
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H25N7

SMILES: C[C@@H](Nc1cncnc1-c1ncc(-c2ccncc2N)n1C1(C)CC1)c1ccccc1

BIRTHDAY: 2018-12-03T10:42:44.105595
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C21H22ClN7O2

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

BIRTHDAY: 2018-12-03T10:42:44.128436
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C19H20N6O2

SMILES: CC(C)n1cnc(-c2nc3c([nH]2)CO[C@]2(c4ccoc4)C=CC=C[C@@H]2N3)n1

BIRTHDAY: 2018-12-03T19:11:09.113357
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C26H42N8O3

SMILES: COc1c(C)cccc1C(=O)N1CCNCCNCCNCCNCCN[C@H](C(=O)NC2(C#N)CC2)C1

BIRTHDAY: 2018-12-03T19:11:09.145841
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C21H22ClN7O2

SMILES: Cc1noc(-c2ncc(N[C@@H](C)[C@]34C=CC(Cl)=C[C@H]3N(C3CC3)C=CC4=O)c(N)n2)n1

BIRTHDAY: 2018-12-03T19:11:09.156968
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C19H21F2N5O3

SMILES: C[C@@H](Nc1nc(N)nc2c1[C@]2(CO)C(=O)N1CCOCC1)c1c(F)cccc1F

BIRTHDAY: 2018-12-03T19:11:09.169129
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C24H25N3O5S

SMILES: C[C@H](c1ccccc1N1CC(=O)N[C@H]1O)[C@@H]1CO[C@@]2(c3ccccn3)C=CC=C[C@H]2S1(=O)=O

BIRTHDAY: 2018-12-03T19:11:09.214749
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@@H]3CC(=O)N(C4CC4)c4ccc(Cl)cc43)c(N)n2)n1

BIRTHDAY: 2018-12-03T19:11:09.235535
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H17F4N3O

SMILES: COc1ccccc1-c1cnc(C(F)(F)F)nc1N[C@H](C)c1cccc(F)c1

BIRTHDAY: 2018-12-03T19:11:09.244865
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
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: 2018-12-01T22:30:13.985076
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H27N7O3S

SMILES: COc1ccncc1Nc1ccnc([C@@]2(N)CCNC[C@H]2NS(=O)(=O)c2ccncc2)c1C

BIRTHDAY: 2018-12-01T22:30:14.007069
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C13H26O

SMILES: CC1(C)CCCCCCCCCCO1

BIRTHDAY: 2018-12-01T22:30:14.012484
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C19H23N9O2

SMILES: COc1ccnc(Nc2ccnc(-c3nc(C)nc(N)n3)c2[C@]2(N)CNCCO2)c1

BIRTHDAY: 2018-12-01T22:30:14.023420
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H20N8O

SMILES: COc1ccnc(Nc2c(NC3(C)CC3)ncnc2-c2ncc(N)cn2)c1

BIRTHDAY: 2018-12-01T22:30:14.043874
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C31H33N5O3

SMILES: Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCCCCCOc6ccc(cc6)CCCC5)n4c3)ccc2o1

BIRTHDAY: 2018-12-01T22:30:14.055194
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C21H22ClN7O2

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

BIRTHDAY: 2018-12-01T22:30:14.066151
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H20FN5O2

SMILES: NC(=O)[C@H](Cc1cnc2cccc(-c3ccc(F)cc3)n12)NC(=O)c1cnc2ccccc2c1

BIRTHDAY: 2018-12-01T22:30:14.076905
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C22H28N8O2

SMILES: CC(C)n1cnc(-c2nc3c([nH]2)N[C@@H]2C=CC=C[C@]2(c2ccnn2CC(C)(C)O)CO3)n1

BIRTHDAY: 2018-12-01T22:30:14.098519
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]3C(=O)N(C4CC4)C=C4C=CC=C[C@]43Cl)c(N)n2)n1

BIRTHDAY: 2018-12-01T22:30:14.109230
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C19H24F4N6O3S

SMILES: COc1ccncc1Nc1ccnc([C@]2(N)CCCN[C@H]2NS(=O)(=O)C(F)(F)C(F)F)c1C

BIRTHDAY: 2018-12-01T22:30:14.121954
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan