Name: dAURK-4 hydrochloride
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT218659217
Cas No:
常用名:dAURK-4 hydrochloride
别名:dAURK-4 hydrochloride (2705844-81-9 free base)
别名:dAURK-4 hydrochloride (2705844-81-9 free base)
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
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
InChI key:TYHNXUIIJPLUJC-UHFFFAOYSA-N

分子式:C52H53Cl2FN8O12
分子量:1071.94
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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
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

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