HIT218659217 - N-{3-[2-(2-{3-[(4-{[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9-triazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2,4,6,9,11,13-heptaen-4-yl]amino}-2-methoxyphenyl)formamido]propoxy}ethoxy)ethoxy]propyl}-2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy}acetamide hydrochloride, dAURK-4 hydrochloride, dAURK-4 盐酸盐

sdf文件结构编辑类似物检索

HIT ID: HIT218659217

Cas No: T74100

分子式: C52H53Cl2FN8O12

分子量: 1071.94

常用名: N-{3-[2-(2-{3-[(4-{[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9-triazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2,4,6,9,11,13-heptaen-4-yl]amino}-2-methoxyphenyl)formamido]propoxy}ethoxy)ethoxy]propyl}-2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy}acetamide hydrochloride, dAURK-4 hydrochloride, dAURK-4 盐酸盐

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: N-{3-[2-(2-{3-[(4-{[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9-triazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2,4,6,9,11,13-heptaen-4-yl]amino}-2-methoxyphenyl)formamido]propoxy}ethoxy)ethoxy]propyl}-2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamide hydrochloride

SMILES: Cl.COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(=O)NCCCOCCOCCOCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

InChI key: TYHNXUIIJPLUJC-UHFFFAOYSA-N