Name: CRBN ligand-186
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220772290
Cas No:3084710-09-5
常用名:CRBN ligand-186
IUPAC:2-(1-{2-[(3S)-3-[6-(2-cyano-3-{[ethyl(methyl)sulfamoyl]amino}-6-fluorophenoxy)-4-oxo-3,4-dihydroquinazolin-3-yl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl}piperidin-4-yl)-5-(2,6-dioxopiperidin-3-yl)phenyl sulfurofluoridate
IUPAC:2-(1-{2-[(3S)-3-[6-(2-cyano-3-{[ethyl(methyl)sulfamoyl]amino}-6-fluorophenoxy)-4-oxo-3,4-dihydroquinazolin-3-yl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl}piperidin-4-yl)-5-(2,6-dioxopiperidin-3-yl)phenyl sulfurofluoridate
InChI key:InChIKey=ARMCIGXAGASBRH-QGFKTNLFSA-N

分子式:C44H48F2N8O11S2
分子量:967.03
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCN(C)S(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn([C@@H]4COC5(C4)CCN(CC5)C(=O)CN4CCC(CC4)c4ccc(cc4OS(F)(=O)=O)C4CCC(=O)NC4=O)c(=O)c3c2)c1C#N
SMILES:CCN(C)S(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn([C@@H]4COC5(C4)CCN(CC5)C(=O)CN4CCC(CC4)c4ccc(cc4OS(F)(=O)=O)C4CCC(=O)NC4=O)c(=O)c3c2)c1C#N

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