Name: ERK-CLIPTAC
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584992
Cas No:2087490-46-6
常用名:ERK-CLIPTAC
IUPAC:1-{4-[(6-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}hexanamido)methyl]phenyl}-4-methyl-3H,5H,6H,7H,8H,9H,10H,10aH-cycloocta[d]pyridazin-7-yl N-(4-{4-[(5-chloro-4-{[2-(prop-2-enamido)phenyl]amino}pyrimidin-2-yl)amino]pyridin-2-yl}but-3-yn-1-yl)carbamate
IUPAC:1-{4-[(6-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}hexanamido)methyl]phenyl}-4-methyl-3H,5H,6H,7H,8H,9H,10H,10aH-cycloocta[d]pyridazin-7-yl N-(4-{4-[(5-chloro-4-{[2-(prop-2-enamido)phenyl]amino}pyrimidin-2-yl)amino]pyridin-2-yl}but-3-yn-1-yl)carbamate
InChI key:AMIFRHOXPKNCKE-UHFFFAOYSA-N

分子式:C60H61ClN12O9
分子量:1129.67
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1=C2CCC(CCCC2C(=NN1)c1ccc(CNC(=O)CCCCCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1)OC(=O)NCCC#Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)ccn1
SMILES:CC1=C2CCC(CCCC2C(=NN1)c1ccc(CNC(=O)CCCCCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1)OC(=O)NCCC#Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)ccn1

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