matter.farm

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

These compounds may interact with:

Casein kinase II subunit alpha

Potentially involved in: intellectual disability; carcinoma; hemolytic anemia; squamous cell carcinoma; adult t-cell lymphoma/leukemia; skin neoplasms; intraductal papillary-mucinous neoplasm (ipmn); lung cancer; medulloblastoma, large-cell; non-small cell lung cancer; osteosarcoma; ovarian cancer; rheumatoid arthritis; sonic hedgehog group medulloblastoma; carcinoma, squamous cell; leukemia-lymphoma, adult t-cell; okur-chung neurodevelopmental syndrome

Disease data sourced from Pharos.

Inhibitor

FORMULA:C21H20FN7O2

SMILES: C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1cccc(F)c1

BIRTHDAY: 2018-12-01T14:11:54.363699
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C18H21N9O3

SMILES: CC(C)Nc1cc(N[C@H]2C(=O)NNC23CC3)n2ncc(/C=C3\NC(=O)NC3=O)c2n1

BIRTHDAY: 2018-12-01T14:11:54.374896
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C21H19F2N7O2

SMILES: C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1cc(F)ccc1F

BIRTHDAY: 2018-12-01T14:11:54.386346
ATC: R05C
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis Plan
FORMULA:C25H32FN5

SMILES: Fc1cccc(N[C@H]2N=Cc3[nH]ncc3N2C2=CCCCCC=CCCCCCC2)c1

BIRTHDAY: 2018-12-01T14:11:54.395779
ATC: A03C
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- ANTISPASMODICS IN COMBINATION WITH PSYCHOLEPTICS
Synthesis Plan
FORMULA:C21H21F2N7O2

SMILES: C[C@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@@]2(NC2CC2)N=C1)c1c(F)cccc1F

BIRTHDAY: 2018-12-01T14:11:54.407137
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H15NO8S

SMILES: COc1cc(/C=C2/SC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCC(=O)O

BIRTHDAY: 2018-12-01T14:11:54.417492
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C17H22N8O2

SMILES: CN(C)CCNc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1

BIRTHDAY: 2018-12-01T14:11:54.427407
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis Plan
FORMULA:C21H20FN7O2

SMILES: C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1cccc(F)c1

BIRTHDAY: 2018-12-01T14:11:54.438055
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C24H20N2O6

SMILES: COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O)ccc1O

BIRTHDAY: 2018-12-01T14:11:54.448611
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C24H20N2O6

SMILES: C=C(C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1)c1cccc(O)c1OC

BIRTHDAY: 2018-12-01T14:11:54.458637
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C21H21F2N7O2

SMILES: C[C@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1cccc(F)c1F

BIRTHDAY: 2018-12-01T14:11:54.469718
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H14N8S

SMILES: CC1=NN(c2cc(C#N)cc(Nc3nc(-c4ccccn4)ncc3C#N)c2)CS1

BIRTHDAY: 2018-12-01T14:11:54.479804
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C20H25N7O2

SMILES: CC(C)[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)C1CC1

BIRTHDAY: 2018-12-01T14:11:54.489855
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:C43H44N4O3

SMILES: C=C(C(=O)N[C@@H](C)c1ccccc1C(=O)Nc1c2cccc1C1=NC(=Cc3ccc([nH]3)CCCCC=CCCC2)C=C1)c1ccccc1OC

BIRTHDAY: 2018-12-01T14:11:54.503329
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C18H15FN6S2

SMILES: N#Cc1cccc(F)c1Nc1cc(NC2CC2)n2nc3c(c2n1)SCCS3

BIRTHDAY: 2018-12-01T14:11:54.513158
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C28H35ClN8O2

SMILES: C[C@H](NC(=O)c1cccc2c1[C@@]1(N[C@@H](C)N3CCOCC3)N=CN=CC1=N[C@@H]2Nc1ccc(Cl)cc1)N(C)C

BIRTHDAY: 2018-12-01T14:11:54.527321
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C15H14N2O6S3

SMILES: COc1cc(/C=C2\SC(=O)N([C@@H]3CSCS3)C2=O)cc([N+](=O)[O-])c1OC

BIRTHDAY: 2018-12-25T02:03:55.911234
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H19N9O2

SMILES: N#Cc1ccc(CN[C@@]2(NC3CC3)N=Cn3nc(C=C4NC(=O)C(=O)N4)cc3N2)cc1

BIRTHDAY: 2018-12-25T02:03:55.922173
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H19F2N7O2

SMILES: C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1cc(F)ccc1F

BIRTHDAY: 2018-12-25T02:03:55.933765
ATC: R05C
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis Plan
FORMULA:C22H21FN8O3

SMILES: O=C1NC(=O)/C(=C\c2cnn3c(NC4CC4)cc(Nc4c(F)ccc5c4CNCCO5)nc23)N1

BIRTHDAY: 2018-12-25T02:03:55.945679
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C24H20N4O3

SMILES: C=C(c1c(C#N)cncc1Nc1ccccc1C#N)c1c(OC)ccc(OC)c1OC

BIRTHDAY: 2018-12-25T02:03:55.956478
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H22FN7O2

SMILES: C[C@@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@]2(NC2CC2)N=C1)c1ccc(F)cc1

BIRTHDAY: 2018-12-25T02:03:55.967281
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C20H20N8O3

SMILES: COc1ccccc1CNc1nc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1

BIRTHDAY: 2018-12-25T02:03:55.978334
ATC: A05B
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- LIVER THERAPY, LIPOTROPICS
Synthesis Plan
FORMULA:C21H22FN7O2

SMILES: C[C@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1ccc(F)cc1

BIRTHDAY: 2018-12-25T02:03:55.989101
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H26N8O4S

SMILES: C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)[C@@H]1OC2(CC2)CSN[C@H]1O

BIRTHDAY: 2018-12-25T02:03:56.001529
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C28H21FN2O5S

SMILES: C[C@@]1(c2cccc(F)c2)C=NC=CN2C(=O)/C(=C\c3cccc(Oc4ccccc4C(=O)O)c3)S[C@]21O

BIRTHDAY: 2018-12-25T02:03:56.012886
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H22N8O3

SMILES: COc1cccc(CN[C@@]2(NC3CC3)N=CN=C3C=C(C=C4NC(=O)C(=O)N4)NN32)c1

BIRTHDAY: 2018-12-25T02:03:56.023703
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C31H24FN9O

SMILES: OCC1=Cc2cccc(c2)Nc2ccnc(n2)Nc2cc1ccc2Nc1cc(Nc2ccc(F)cc2)n2nccc2n1

BIRTHDAY: 2018-12-25T02:03:56.037024
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C28H35ClN8O2

SMILES: C[C@@H](NC1=NC=N[C@]2(Nc3ccc(Cl)cc3)C1=NCc1cccc(C(=O)N[C@@H](C)N(C)C)c12)N1CCOCC1

BIRTHDAY: 2018-12-25T02:03:56.051513
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C20H19N9O2

SMILES: N#Cc1ccc(CN[C@]2(NC3CC3)N=Cn3nc(C=C4NC(=O)C(=O)N4)cc3N2)cc1

BIRTHDAY: 2018-12-25T02:03:56.062390
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C20H17N5O3S

SMILES: COc1cccc(-c2cc(NC3CC3)n3ncc(/C=C4/SC(=O)NC4=O)c3n2)c1

BIRTHDAY: 2018-12-25T02:03:56.072733
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C20H17FN8O2

SMILES: N#Cc1c(F)cccc1NC1=CN2NC=C[C@@]2(C=C2NC(=O)C(=O)N2)N=C1NC1CC1

BIRTHDAY: 2018-12-25T02:03:56.084113
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C21H21F2N7O2

SMILES: C[C@@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@@]2(NC2CC2)N=C1)c1cccc(F)c1F

BIRTHDAY: 2018-12-25T02:03:56.095297
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C47H43N5O5

SMILES: C=C(C(=O)Nc1cccc(C(=O)Nc2ccccc2-c2c3ccc4cccc(c24)N2CC[C@@H](C2)NCC(=O)CNCc2cccc(c2)O3)c1)c1ccccc1OC

BIRTHDAY: 2018-12-03T02:40:02.434074
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H24ClN5O

SMILES: C[C@H](NC(=O)c1cccc2c1CN=C1C=NC=C[C@]12Nc1ccccc1Cl)N(C)C

BIRTHDAY: 2018-12-03T02:40:02.443819
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C28H33ClN8O2

SMILES: CN(C)CCNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1nc(NCCN3CCOCC3)ncc12

BIRTHDAY: 2018-12-03T02:40:02.466964
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H17N9O2

SMILES: N#Cc1ccc(CNc2nc(NC3CC3)n3ncc(/C=C4/NC(=O)NC4=O)c3n2)cc1

BIRTHDAY: 2018-12-03T02:40:02.477855
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis Plan
FORMULA:C26H37N5O5

SMILES: C[C@@H](C(=O)N[C@H](C)[C@]12CCC(=O)[C@@H]3CN1[C@](O)(CC2=O)C(=O)CNCCNCCN3)c1ccccc1

BIRTHDAY: 2018-12-03T02:40:02.489861
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C20H19N5O3S

SMILES: COc1ccc([C@@]2(NC3CC3)N=CC=C3C(/C=C4\NC(=O)C(=O)S4)=CNN32)cc1

BIRTHDAY: 2018-12-03T02:40:02.499592
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C21H21F2N7O2

SMILES: C[C@@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@]2(NC2CC2)N=C1)c1cccc(F)c1F

BIRTHDAY: 2018-12-03T02:40:02.510817
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C19H16N8O4

SMILES: O=C1NC(=O)/C(=C\c2cnn3c(NC4CC4)nc(Nc4cccc(C(=O)O)c4)nc23)N1

BIRTHDAY: 2018-12-03T02:40:02.522145
ATC: A05B
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- LIVER THERAPY, LIPOTROPICS
Synthesis Plan
FORMULA:C16H17N7O3

SMILES: C[C@@]1(Nc2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)CO1

BIRTHDAY: 2018-12-03T02:40:02.531983
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C21H20FN7O2

SMILES: C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1cccc(F)c1

BIRTHDAY: 2018-12-03T02:40:02.542757
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C21H21F2N7O2

SMILES: C[C@@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1cccc(F)c1F

BIRTHDAY: 2018-12-03T02:40:02.563468
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H17F3N4O2

SMILES: COc1ccc(/C=C\C(=O)N2CC=NC(Nc3ccc(C(F)(F)F)cc3)=N2)cc1

BIRTHDAY: 2018-12-03T02:40:02.572842
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H22FN7O2

SMILES: C[C@@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1ccc(F)cc1

BIRTHDAY: 2018-12-03T02:40:02.583400
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C16H17Cl2N5O

SMILES: CC(C)Nc1nc(=O)n2c(c1N)[C@@H](c1cccc(Cl)c1Cl)C=CN2

BIRTHDAY: 2018-12-03T02:40:02.592396
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H21F2N7O2

SMILES: C[C@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@]2(NC2CC2)N=C1)c1cccc(F)c1F

BIRTHDAY: 2018-12-03T02:40:02.603581
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis Plan
FORMULA:C21H21N7O3

SMILES: COc1ccccc1CNc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1

BIRTHDAY: 2018-12-03T02:40:02.614155
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C20H17FN8O2

SMILES: N#Cc1cc(F)cc(N[C@]2(NC3CC3)N=CC=C3C=C(C=C4NC(=O)C(=O)N4)NN32)c1

BIRTHDAY: 2018-12-03T02:40:02.625025
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C16H22N8O2S

SMILES: CN(C)[C@@](C)(N)N1C=c2[nH]nc(/C=C3/NC(=O)C(=O)S3)c2=N[C@@H]1NC1CC1

BIRTHDAY: 2018-11-30T03:41:58.696861
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis plan pending
FORMULA:C23H22ClN5O

SMILES: CN(C)CCNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12

BIRTHDAY: 2018-11-30T03:41:58.706298
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis plan pending
FORMULA:C21H21F2N7O2

SMILES: C[C@@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1cc(F)cc(F)c1

BIRTHDAY: 2018-11-30T03:41:58.727448
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C21H21F2N7O2

SMILES: C[C@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1ccc(F)cc1F

BIRTHDAY: 2018-11-30T03:41:58.738605
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C20H19N5O3S

SMILES: COc1ccc([C@@]2(NC3CC3)N=CC=C3C(/C=C4/NC(=O)C(=O)S4)=CNN32)cc1

BIRTHDAY: 2018-11-30T03:41:58.760267
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis plan pending
FORMULA:C33H37N3O5

SMILES: C=C(C(=O)Nc1ccccc1C(=O)Nc1cc2ccc1CCCOCC(=O)CCCCCN2)c1ccccc1OC

BIRTHDAY: 2018-11-30T03:41:58.773338
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C20H15FN8O2

SMILES: N#Cc1ccc(Nc2cc(NC3CC3)n3ncc(/C=C4/NC(=O)NC4=O)c3n2)c(F)c1

BIRTHDAY: 2018-11-30T03:41:58.784266
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis plan pending
FORMULA:C20H20N8O2

SMILES: C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccccn1

BIRTHDAY: 2018-11-30T03:41:58.794808
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:C20H17N9O2

SMILES: N#Cc1cccc(CNc2nc(NC3CC3)n3ncc(/C=C4/NC(=O)NC4=O)c3n2)c1

BIRTHDAY: 2018-11-30T03:41:58.805838
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis plan pending
FORMULA:C23H29N5O4

SMILES: COc1cccc2c1=CN[C@@](NC(C)=O)(N1C=CNCCC[C@@H]3C=CC=C[C@H]3C1(O)O)N=2

BIRTHDAY: 2018-11-30T03:41:58.817300
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis plan pending
FORMULA:C25H37N7O

SMILES: C[C@H](Nc1ncn([C@@H]2CCN3CCC[C@@H]2C3)c(=O)n1)c1cccc(CN(C)[C@@H]2CCNC2)c1

BIRTHDAY: 2018-11-30T03:41:58.839334
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis plan pending
FORMULA:C24H24N6O2

SMILES: C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3\C(=O)C[C@H]4C=C[C@H]3O4)c2n1)c1ccccn1

BIRTHDAY: 2018-11-30T03:41:58.860693
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis plan pending
FORMULA:C17H13N5O3

SMILES: O=c1[nH]nc(Oc2ccc3cnc(NCc4ccccc4)nc3c2)o1

BIRTHDAY: 2018-11-19T08:11:53.927774
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis plan pending
FORMULA:C21H22FN7O2

SMILES: C[C@@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@@]2(NC2CC2)N=C1)c1ccccc1F

BIRTHDAY: 2018-11-19T08:11:53.938472
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C20H18N6O3

SMILES: COc1cccc(-c2cc(NC3CC3)n3ncc(/C=C4/NC(=O)NC4=O)c3n2)c1

BIRTHDAY: 2018-11-19T08:11:53.948777
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis plan pending
FORMULA:C21H26N2O3

SMILES: CC(C)(C)c1ccc(CN2C(=O)N(Cc3ccccc3)[C@]2(O)CO)cc1

BIRTHDAY: 2018-11-19T08:11:53.966667
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis plan pending
FORMULA:C28H35ClN8O2

SMILES: C[C@H](NC(=O)c1cccc2c1[C@@]1(N[C@@H](C)N3CCOCC3)N=CN=CC1=N[C@H]2Nc1ccc(Cl)cc1)N(C)C

BIRTHDAY: 2018-11-19T08:11:53.980944
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis plan pending
FORMULA:C20H27N7O2

SMILES: CC(C)[C@@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@]2(NC2CC2)N=C1)C1CC1

BIRTHDAY: 2018-11-19T08:11:53.990879
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis plan pending
FORMULA:C20H19N9O2

SMILES: N#Cc1cccc(CN[C@@]2(NC3CC3)NC=Nc3cc(C=C4NC(=O)C(=O)N4)nn32)c1

BIRTHDAY: 2018-11-19T08:11:54.001703
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis plan pending
FORMULA:C20H17FN8O2

SMILES: N#Cc1cc(F)cc(NC2=CN3NC=C(C=C4NC(=O)C(=O)N4)[C@]3(NC3CC3)N=C2)c1

BIRTHDAY: 2018-11-19T08:11:54.012570
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis plan pending
FORMULA:C21H21F2N7O2

SMILES: C[C@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@@]2(NC2CC2)N=C1)c1cccc(F)c1F

BIRTHDAY: 2018-11-19T08:11:54.023679
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis plan pending
FORMULA:C21H22FN7O2

SMILES: C[C@@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@@]2(NC2CC2)N=C1)c1ccccc1F

BIRTHDAY: 2018-11-19T08:11:54.034407
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis plan pending
FORMULA:C20H21N7O2S

SMILES: C[C@@H](NC1=CN2NC(/C=C3/NC(=O)C(=O)S3)=C[C@@]2(NC2CC2)N=C1)c1ccncc1

BIRTHDAY: 2018-11-19T08:11:54.045062
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis plan pending
FORMULA:C21H22FN7O2

SMILES: C[C@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@]2(NC2CC2)N=C1)c1ccc(F)cc1

BIRTHDAY: 2018-11-19T08:11:54.067303
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis plan pending
FORMULA:C24H20N2O6

SMILES: C=C(C(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1)c1c(O)cccc1OC

BIRTHDAY: 2018-11-19T08:11:54.077111
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C21H21F2N7O2

SMILES: C[C@H](NC1=C2C=C(C=C3NC(=O)C(=O)N3)NN2[C@H](NC2CC2)N=C1)c1cccc(F)c1F

BIRTHDAY: 2018-11-19T08:11:54.109990
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis plan pending
FORMULA:C21H21F2N7O2

SMILES: C[C@@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1c(F)cccc1F

BIRTHDAY: 2018-11-19T08:11:54.121353
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C24H20N2O6

SMILES: C=C(C(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1)c1cc(O)cc(OC)c1

BIRTHDAY: 2018-11-19T08:11:54.131076
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C25H30ClN5O

SMILES: C[C@H](NC(=O)c1cccc2c1[C@]1(Nc3ccc(Cl)cc3)C(=NC2)C2CCN1CC2)N(C)C

BIRTHDAY: 2018-11-19T08:11:54.142182
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:C25H22N2O6

SMILES: COc1ccc(/C=C\C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O)cc1OC

BIRTHDAY: 2018-11-19T08:11:54.163196
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C16H23N9O2

SMILES: CN(C)[C@@](C)(N)N1c2c(C=C3NC(=O)C(=O)N3)n[nH]c2C=N[C@H]1NC1CC1

BIRTHDAY: 2018-11-19T08:11:54.173795
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C21H21F2N7O2

SMILES: C[C@H](NC1=C2C=C(C=C3NC(=O)C(=O)N3)NN2[C@@H](NC2CC2)N=C1)c1cccc(F)c1F

BIRTHDAY: 2018-11-19T08:11:54.196974
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis plan pending
FORMULA:C28H35N9O

SMILES: CN(C)C[C@H](Nc1nc(NC2CC2)n2ncc(/C=C3/N[C@@H]4[C@@H]5CCC[C@H](C5)N4C3=O)c2n1)c1ccccc1

BIRTHDAY: 2018-11-19T08:11:54.208984
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis plan pending
FORMULA:C20H19N9O2

SMILES: N#Cc1cccc(CN[C@]2(NC3CC3)N=Cn3nc(C=C4NC(=O)C(=O)N4)cc3N2)c1

BIRTHDAY: 2018-11-19T08:11:54.219975
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis plan pending
FORMULA:C20H20N8O2

SMILES: C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccccn1

BIRTHDAY: 2018-11-19T08:11:54.230605
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:C20H19N9O2

SMILES: N#Cc1ccccc1CN[C@]1(NC2CC2)N=Cn2nc(/C=C3/NC(=O)NC3=O)cc2N1

BIRTHDAY: 2018-11-19T08:11:54.241591
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:C24H20N2O6

SMILES: COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O)c(O)c1

BIRTHDAY: 2018-11-19T08:11:55.001968
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis plan pending
FORMULA:C17H22N8O2

SMILES: CN(C)CCNc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1

BIRTHDAY: 2018-11-19T08:11:55.028148
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis plan pending
FORMULA:C22H27N9O2

SMILES: CN(C)C[C@@H](N[C@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21)c1ccccc1

BIRTHDAY: 2018-11-19T08:11:55.059089
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis plan pending
FORMULA:C21H20FN7O2

SMILES: C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1cccc(F)c1

BIRTHDAY: 2018-11-19T08:11:55.073960
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:C20H17NO7S

SMILES: COc1ccc(OC)c(OC)c1/C=C1\SC(=O)C(=O)N1c1cccc(C(=O)O)c1

BIRTHDAY: 2018-11-19T08:11:55.088436
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:C16H14O5

SMILES: COc1cc(/C=C\C(=O)c2c(O)cccc2O)ccc1O

BIRTHDAY: 2018-11-19T08:11:55.099015
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis plan pending
FORMULA:C21H21F2N7O2

SMILES: C[C@H](NC1=CN2NC=C[C@]2(C=C2NC(=O)C(=O)N2)N=C1NC1CC1)c1cccc(F)c1F

BIRTHDAY: 2018-11-19T08:11:55.115101
ATC: P01C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS
Synthesis plan pending
FORMULA:C22H27N9O2

SMILES: CN(C)C[C@@H](NC1=N[C@]2(NC3CC3)C(/C=C3\NC(=O)NC3=O)=CNN2C=N1)c1ccccc1

BIRTHDAY: 2018-11-19T08:11:55.130795
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis plan pending
FORMULA:C20H17FN8O2

SMILES: N#Cc1c(F)cccc1NC1=C(NC2CC2)N2NC=C[C@]2(C=C2NC(=O)C(=O)N2)N=C1

BIRTHDAY: 2018-11-19T08:11:55.159756
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis plan pending
FORMULA:C20H19N5O3S

SMILES: COc1ccc([C@]2(NC3CC3)N=CC=C3C=C(/C=C4\NC(=O)C(=O)S4)NN32)cc1

BIRTHDAY: 2018-11-19T08:11:55.180463
ATC: D03A
- DERMATOLOGICALS
- PREPARATIONS FOR TREATMENT OF WOUNDS AND ULCERS
- CICATRIZANTS
Synthesis plan pending
FORMULA:C16H14ClN7O3Si

SMILES: O=C1NC(=O)/C(=C\c2cnn3c(Nc4cccc(Cl)c4)nc(OC[SiH3])nc23)N1

BIRTHDAY: 2018-11-19T08:11:55.191409
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis plan pending
FORMULA:C21H21F2N7O2

SMILES: C[C@@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@@]2(NC2CC2)N=C1)c1cccc(F)c1F

BIRTHDAY: 2018-11-19T08:11:55.202575
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis plan pending
FORMULA:C31H35N9O2S

SMILES: O=C(NC1=CC=N[C@]2(NC3CC3)C(C3=C4NCCNCCc5ccc(cc5)OCCC4=NSN3)=CNN12)c1ccccc1

BIRTHDAY: 2018-11-19T08:11:55.216110
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis plan pending
FORMULA:C24H20N2O6

SMILES: COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)O)c2)ccc1O

BIRTHDAY: 2018-11-19T08:11:55.226493
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C28H33ClN8O2

SMILES: CN(C)CCNC(=O)c1ccc2c(c1)nc(Nc1ccccc1Cl)c1nc(NCCN3CCOCC3)ncc12

BIRTHDAY: 2018-11-19T08:11:55.238440
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C21H19F2N7O2

SMILES: C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1cc(F)ccc1F

BIRTHDAY: 2018-11-19T08:11:55.261057
ATC: R05C
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis plan pending
FORMULA:C28H35ClN8O2

SMILES: C[C@@H](NC(=O)c1cccc2c1[C@]1(N[C@@H](C)N3CCOCC3)N=CN=CC1=N[C@H]2Nc1ccc(Cl)cc1)N(C)C

BIRTHDAY: 2018-11-19T08:11:55.297187
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis plan pending
FORMULA:C20H15NO8S

SMILES: COc1c(/C=C2\SC(=O)C(=O)N2c2ccccc2C(=O)O)cccc1OCC(=O)O

BIRTHDAY: 2018-11-19T08:11:55.308333
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:C24H20N2O6

SMILES: COc1cc(/C=C\C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)O)c2)ccc1O

BIRTHDAY: 2018-11-19T08:11:55.329455
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:C20H27N7O2

SMILES: CC(C)[C@H](NC1=C(NC2CC2)N2NC=C[C@@]2(C=C2NC(=O)C(=O)N2)N=C1)C1CC1

BIRTHDAY: 2018-11-19T08:11:55.340230
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis plan pending
FORMULA:C22H25N9O2

SMILES: CN(C)C[C@H](Nc1nc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1ccccc1

BIRTHDAY: 2018-11-19T08:11:55.351616
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis plan pending
FORMULA:C21H19F2N7O2

SMILES: C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1cc(F)ccc1F

BIRTHDAY: 2018-11-19T08:11:55.363146
ATC: R05C
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
Synthesis plan pending
FORMULA:C18H30N5O4P

SMILES: CC(C)Nc1cc(N(C)[P@@](=O)(OC(C)C)OC(C)(C)C)n2nc(C=O)cc2n1

BIRTHDAY: 2018-11-19T08:11:55.373366
ATC: B03B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- VITAMIN B12 AND FOLIC ACID
Synthesis plan pending
FORMULA:C21H21F2N7O2

SMILES: C[C@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@]2(NC2CC2)N=C1)c1c(F)cccc1F

BIRTHDAY: 2018-11-19T08:11:55.384786
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis plan pending
FORMULA:C20H27N7O2

SMILES: CC(C)[C@@H](NC1=C(NC2CC2)N2NC=C[C@@]2(C=C2NC(=O)C(=O)N2)N=C1)C1CC1

BIRTHDAY: 2018-11-19T08:11:55.406736
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis plan pending
FORMULA:C20H20N8O2

SMILES: C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1ccccn1

BIRTHDAY: 2018-11-19T08:11:55.417343
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis plan pending
FORMULA:C21H22FN7O2

SMILES: C[C@@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1ccccc1F

BIRTHDAY: 2018-11-30T17:24:18.889287
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C28H30N6O3

SMILES: C[C@H](N[C@H]1C=CCOCc2cc(co2)-c2ccnc(n2)Nc2cccc(c2)CO1)N(C)c1ccccn1

BIRTHDAY: 2018-11-30T17:24:18.910930
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C26H29N9O2

SMILES: CN1C[C@@H]2CC[C@@H]1Cc1ccc(CNc3nc(NC4CC4)n4ncc(/C=C5/NC(=O)NC5=O)c4n3)cc12

BIRTHDAY: 2018-11-30T17:24:18.923193
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis Plan
FORMULA:C20H20N6O3

SMILES: COc1ccccc1[C@@]1(NC2CC2)N=CC=C2C=C(C=C3NC(=O)C(=O)N3)NN21

BIRTHDAY: 2018-11-30T17:24:18.933138
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C27H22N6O4

SMILES: COc1ccc(C#N)c(OC)c1/C=C1/N=C(NC2CC2)N=C2C3=C(Cc4ccccc4C3=O)C(=O)NN21

BIRTHDAY: 2018-11-30T17:24:18.946695
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C20H17N9O2

SMILES: N#Cc1ccccc1CNc1nc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1

BIRTHDAY: 2018-11-30T17:24:18.969056
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C24H20N2O6

SMILES: C=C(C(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1)c1ccc(OC)cc1O

BIRTHDAY: 2018-11-30T17:24:18.989433
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C21H21F2N7O2

SMILES: C[C@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@@]2(NC2CC2)N=C1)c1cccc(F)c1F

BIRTHDAY: 2018-11-30T17:24:19.000477
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H27FN2O3

SMILES: COc1ccc([C@@H](C)NC(=O)C(C)C)cc1/C=C\C=C/C=C1\C(=O)Nc2ccc(F)cc21

BIRTHDAY: 2018-11-30T17:24:19.009603
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C20H17F5N4O

SMILES: C[C@@H](NC1=C2C(=NCN1)C=CC=CC(c1ccc(F)cc1F)=C2C(N)=O)C(F)(F)F

BIRTHDAY: 2018-11-30T17:24:19.020670
ATC: G04B
- GENITO URINARY SYSTEM AND SEX HORMONES
- UROLOGICALS
- UROLOGICALS
Synthesis Plan
FORMULA:C20H17NO7S

SMILES: COc1ccc(OC)c(OC)c1/C=C1/C(=O)SC(=O)N1c1ccccc1C(=O)O

BIRTHDAY: 2018-11-30T17:24:19.031442
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C27H25F2N9O3

SMILES: O=C1N/C(=C\c2cnn3c(NC4CC4)cc(Nc4cc(F)ccc4F)nc23)COCC=CCOc2cncc(n2)N1

BIRTHDAY: 2018-11-30T17:24:19.044854
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:C21H21F2N7O2

SMILES: C[C@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@@]2(NC2CC2)N=C1)c1c(F)cccc1F

BIRTHDAY: 2018-11-30T17:24:19.056102
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C40H38N12O3

SMILES: O=C1NC(=Cc2cc3n(n2)C=N[C@@](NCc2ccccc2-c2c4cccc2-c2ccnc(n2)Nc2cccc(c2)NCC=CCCO4)(NC2CC2)N3)NC1=O

BIRTHDAY: 2018-11-30T17:24:19.073102
ATC: V09X
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- OTHER DIAGNOSTIC RADIOPHARMACEUTICALS
Synthesis Plan
FORMULA:C20H17FN8O2

SMILES: N#Cc1cc(F)ccc1NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@@]2(NC2CC2)N=C1

BIRTHDAY: 2018-12-02T16:07:38.468861
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H22FN7O2

SMILES: C[C@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1ccccc1F

BIRTHDAY: 2018-12-02T16:07:38.491426
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C28H35ClN8O2

SMILES: C[C@@H](N[C@@]12N=CN=CC1=N[C@@H](Nc1ccc(Cl)cc1)c1cccc(C(=O)N[C@@H](C)N(C)C)c12)N1CCOCC1

BIRTHDAY: 2018-12-02T16:07:38.505717
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C20H17FN8O2

SMILES: N#Cc1cccc(F)c1NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1

BIRTHDAY: 2018-12-02T16:07:38.516772
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H29N3O2

SMILES: CC(=O)Nc1ccc(NC(=O)C2=CCCC=CCCC=CC=C(C)CC2)cn1

BIRTHDAY: 2018-12-02T16:07:38.524996
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H17FN8O2

SMILES: N#Cc1c(F)cccc1NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1

BIRTHDAY: 2018-12-02T16:07:38.535971
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C28H35ClN8O2

SMILES: C[C@H](NC(=O)c1cccc2c1[C@@]1(Nc3cccc(Cl)c3)N=CN=C(N[C@@H](C)N3CCOCC3)C1=NC2)N(C)C

BIRTHDAY: 2018-12-02T16:07:38.581672
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C20H17FN8O2

SMILES: N#Cc1c(F)cccc1NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@]2(NC2CC2)N=C1

BIRTHDAY: 2018-12-02T16:07:38.604039
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C20H19N9O3S2

SMILES: NC1(N2c3cc(C=C4NC(=O)C(=O)N4)nn3C=N[C@@H]2NCc2cccc3c2SNC(=O)S3)CC1

BIRTHDAY: 2018-12-02T16:07:38.616417
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C16H14O5

SMILES: COc1cc(/C=C\C(=O)c2ccc(O)c(O)c2)ccc1O

BIRTHDAY: 2018-12-02T16:07:38.634640
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C24H19FN4O5

SMILES: COc1ccccc1C1=NN(CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)Nc2cccc(F)c21

BIRTHDAY: 2018-12-03T10:43:49.008391
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C20H19N5O3S

SMILES: COc1ccc([C@]2(NC3CC3)N=CC=C3C(/C=C4/NC(=O)C(=O)S4)=CNN32)cc1

BIRTHDAY: 2018-12-03T10:43:49.018429
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C20H20O4

SMILES: COc1ccccc1[C@@]12C=CCC[C@@H](O1)[C@]1(C(=O)O)C=CC=C[C@@H]21

BIRTHDAY: 2018-12-03T10:43:49.037282
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C21H22FN7O2

SMILES: C[C@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@]2(NC2CC2)N=C1)c1ccccc1F

BIRTHDAY: 2018-12-03T10:43:49.058976
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C26H41FN6O

SMILES: C[C@H](N[C@@]1(NCC[N+](C)=O)N=C[C-]=C2CNCCCCCCCCCCN21)c1cccc(F)c1

BIRTHDAY: 2018-12-03T10:43:49.105114
ATC: H01A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C20H15NO8S

SMILES: COc1cc(/C=C2\SC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCC(=O)O

BIRTHDAY: 2018-12-03T10:43:49.115867
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C20H22N8O2

SMILES: C[C@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@]2(NC2CC2)N=C1)c1ccncc1

BIRTHDAY: 2018-12-03T10:43:49.127115
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C28H33N11O2

SMILES: N#C[C@H]1CCN2CC[C@@H](C2)CN([C@@H]2N(C3(N)CC3)C=Nc3cc(C=C4NC(=O)C(=O)N4)nn32)c2cccc(c2)NC1

BIRTHDAY: 2018-12-03T10:43:49.142165
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C28H35ClN8O2

SMILES: C[C@@H](NC(=O)c1cccc2c1[C@]1(N[C@@H](C)N3CCOCC3)N=CN=CC1=N[C@@H]2Nc1ccc(Cl)cc1)N(C)C

BIRTHDAY: 2018-12-03T10:43:49.156453
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C20H20N8O2

SMILES: C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3/NC(=O)NC3=O)c2n1)c1ccccn1

BIRTHDAY: 2018-12-03T10:43:49.167068
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C21H26N4O2

SMILES: CN(C)CCCNC(=O)c1ccc2c(c1)nc([C@H](O)CN)c1ccccc12

BIRTHDAY: 2018-12-03T10:43:49.212163
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C21H21F2N7O2

SMILES: C[C@@H](NC1=CN2NC(C=C3NC(=O)C(=O)N3)=C[C@@]2(NC2CC2)N=C1)c1c(F)cccc1F

BIRTHDAY: 2018-12-03T19:12:14.874447
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C14H13N5O3

SMILES: NNC(=O)c1cccc([C@@H]2NC(=O)N(c3ccccn3)O2)c1

BIRTHDAY: 2018-12-03T19:12:14.883273
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C21H19N3O3

SMILES: O[C@@H]1C=CCOCc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)O1

BIRTHDAY: 2018-12-03T19:12:14.892655
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H15FN8O2

SMILES: N#Cc1ccc(F)c(Nc2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c1

BIRTHDAY: 2018-12-03T19:12:14.918175
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C23H24ClN5O

SMILES: C[C@H](NC(=O)c1cccc2c1[C@@]1(Nc3ccccc3Cl)C=CN=CC1=NC2)N(C)C

BIRTHDAY: 2018-12-03T19:12:14.929029
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:C20H25N7O

SMILES: CC(C)Nc1cc(NC2CC2)n2nc3c(c2n1)C[C@@H]1C=C(NC2CC2)N3C1=O

BIRTHDAY: 2018-12-03T19:12:14.938778
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H15NO8S

SMILES: COc1c(/C=C2\C(=O)SC(=O)N2c2ccccc2C(=O)O)cccc1OCC(=O)O

BIRTHDAY: 2018-12-03T19:12:14.961472
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C19H21N9O4S

SMILES: CS(=O)(=O)Nc1ccccc1N[C@]1(NC2CC2)N=CN=C2C=C(C=C3NC(=O)C(=O)N3)NN21

BIRTHDAY: 2018-12-03T19:12:15.048854
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:C21H21F2N7O2

SMILES: C[C@H](NC1=N[C@H]2C=C(/C=C3/NC(=O)NC3=O)NN2C(NC2CC2)=C1)c1cc(F)ccc1F

BIRTHDAY: 2018-12-01T22:31:20.196580
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C20H22N8O2

SMILES: C[C@H](NC1=C2C=C(C=C3NC(=O)C(=O)N3)NN2[C@H](NC2CC2)N=C1)c1cccnc1

BIRTHDAY: 2018-12-01T22:31:20.219003
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C16H23N9O2

SMILES: CN(C)[C@](C)(N)N1c2c(C=C3NC(=O)C(=O)N3)n[nH]c2C=N[C@@H]1NC1CC1

BIRTHDAY: 2018-12-01T22:31:20.230165
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C20H22N8O3

SMILES: COc1ccc([C@@H](N)N2c3c(C=C4NC(=O)C(=O)N4)n[nH]c3C=N[C@H]2NC2CC2)cc1

BIRTHDAY: 2018-12-01T22:31:20.242452
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C20H19N9O2

SMILES: N#Cc1ccccc1CN[C@]1(NC2CC2)N=Cn2nc(C=C3NC(=O)C(=O)N3)cc2N1

BIRTHDAY: 2018-12-01T22:31:20.275694
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C20H20N6O3

SMILES: COc1cccc(C2=CC=N[C@@]3(NC4CC4)C=C(C=C4NC(=O)C(=O)N4)NN23)c1

BIRTHDAY: 2018-12-01T22:31:20.311206
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C18H16F3N3O2

SMILES: C[C@@]12C=CC=C[C@@]1(C(=O)O)N=CN=C2NCc1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-12-01T22:31:20.330959
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H25N9O2

SMILES: CN(C)C[C@@H](Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccccc1

BIRTHDAY: 2018-12-01T22:31:20.342263
ATC: A05A
- ALIMENTARY TRACT AND METABOLISM
- BILE AND LIVER THERAPY
- BILE THERAPY
Synthesis Plan
FORMULA:C21H22FN7O2

SMILES: C[C@@H](NC1=CN2NC=C(C=C3NC(=O)C(=O)N3)[C@@]2(NC2CC2)N=C1)c1ccc(F)cc1

BIRTHDAY: 2018-12-01T22:31:20.362816
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C20H17NO7S

SMILES: COc1cc(/C=C2/SC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(OC)c1OC

BIRTHDAY: 2018-12-01T22:31:20.372639
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan