loading...| Preferred Name |
neratinib |
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| Synonyms |
neratinib HKI 272 (2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide N-(4-(3-Chloro-4-(2-pyridinylmethoxy)anilino)-3-cyano-7-ethoxy-6-quinolyl)-4-(dimethylamino)-2-butenamide HKI-272 C30H31ClN6O2 |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_61397 |
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| Definition |
A quinoline compound having a cyano group at the 3-position, a 3-chloro-4-(2-pyridylmethoxy)anilino group at the 4-position, a 4-dimethylamino-trans-but-2-enamido group at the 6-position, and an ethoxy group at the 7-position. |
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| has role | ||
| InChI |
InChI=1S/C30H31ClN6O2/c1-4-38-29-17-26-24(16-27(29)34-13-7-8-14-37(2)3)30(21(18-32)19-35-26)36-22-10-11-28(25(31)15-22)39-20-23-9-5-6-12-33-23/h5-12,15-17,19,34H,4,13-14,20H2,1-3H3,(H,35,36)/b8-7+ |
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| InChIKey |
InChIKey=ZNHPZUKZSNBOSQ-BQYQJAHWSA-N |
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| label |
neratinib |
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| prefixIRI |
obo2:CHEBI_61397 |
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| prefLabel |
neratinib |
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| SMILES |
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC\\C=C\\CN(C)C |
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| Synonym |
neratinib HKI 272 (2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide N-(4-(3-Chloro-4-(2-pyridinylmethoxy)anilino)-3-cyano-7-ethoxy-6-quinolyl)-4-(dimethylamino)-2-butenamide HKI-272 C30H31ClN6O2 |
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| xref |
KEGG DRUG:D08950 CASRN:698387-09-6 CiteXplore:15715478 Reaxys:9971763 |
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| subClassOf |