Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09AID
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| Former ID |
DIB019384
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| Drug Name |
PMID22564207C25b
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| Synonyms |
CEP-28122; 1022958-60-6; GTPL8139; EX-A1541; ZINC84654307; BDBM50389154; CS-5176; NCGC00387821-03; HY-18030
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C28H35ClN6O3
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| Canonical SMILES |
COC1=C(C=CC2=C1CCC(CC2)N3CCOCC3)NC4=NC=C(C(=N4)NC5C6CC(C5C(=O)N)C=C6)Cl
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| InChI |
1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
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| InChIKey |
LAJAFFLJAJMYLK-CVOKMOJFSA-N
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| CAS Number |
CAS 1431697-87-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Discovery of an orally efficacious inhibitor of anaplastic lymphoma kinase. J Med Chem. 2012 May 24;55(10):4580-93. | |||
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