Dovitinib-RIBOTAC
HIT217584975
sdf文件结构编辑类似物检索
HIT ID: HIT217584975
Cas No: 2759351-68-1
分子式: C51H56FN9O10S
分子量: 1006.12
常用名: Dovitinib-RIBOTAC
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: ethyl 5-{[4-(2-{2-[2-(2-{[(2-{4-[2-(4-amino-5-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)-1H-1,3-benzodiazol-6-yl]piperazin-1-yl}ethyl)carbamoyl]amino}ethoxy)ethoxy]ethoxy}ethoxy)-3-hydroxyphenyl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
IUPAC: ethyl 5-{[4-(2-{2-[2-(2-{[(2-{4-[2-(4-amino-5-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)-1H-1,3-benzodiazol-6-yl]piperazin-1-yl}ethyl)carbamoyl]amino}ethoxy)ethoxy]ethoxy}ethoxy)-3-hydroxyphenyl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
SMILES: CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCCOCCOCCOCCNC(=O)NCCN3CCN(CC3)c3ccc4nc([nH]c4c3)-c3c(N)c4c(F)cccc4[nH]c3=O)c(O)c2)C1=O
SMILES: CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCCOCCOCCOCCNC(=O)NCCN3CCN(CC3)c3ccc4nc([nH]c4c3)-c3c(N)c4c(F)cccc4[nH]c3=O)c(O)c2)C1=O
InChI key: KUSYTHTUVIPDQL-UHFFFAOYSA-N
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