EZH2-IN-22
HIT219201014
sdf文件结构编辑类似物检索
HIT ID: HIT219201014
Cas No: 2766231-05-2
分子式: C36H50N4O8
分子量: 666.816
常用名: EZH2-IN-22
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2Z)-but-2-enedioic acid; N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[(1r,3r)-3-(piperidin-1-yl)cyclobutoxy]benzamide
IUPAC: (2Z)-but-2-enedioic acid; N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[(1r,3r)-3-(piperidin-1-yl)cyclobutoxy]benzamide
SMILES: OC(=O)\C=C/C(O)=O.CCN(C1CCOCC1)c1cc(O[C@H]2C[C@@H](C2)N2CCCCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
SMILES: OC(=O)\C=C/C(O)=O.CCN(C1CCOCC1)c1cc(O[C@H]2C[C@@H](C2)N2CCCCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChI key: HFXLGJYNXABHNY-YOAAGGMHSA-N
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