Name: MD-224
Rating: 5 (10 reviews)

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HIT ID:HIT212661115
Cas No:2136247-12-4
常用名:MD-224
IUPAC:(3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-N-[4-({5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]pent-4-yn-1-yl}carbamoyl)phenyl]-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indole]-5'-carboxamide
IUPAC:(3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-N-[4-({5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]pent-4-yn-1-yl}carbamoyl)phenyl]-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indole]-5'-carboxamide
InChI key:ZLGNYFOIDAVMHY-MPKOGUQCSA-N

分子式:C48H43Cl2FN6O6
分子量:889.81
氢键供体数 (HBD):5
氢键受体数 (HBA):7
LogP:6.5929856
SMILES:Fc1c(Cl)cccc1[C@H]1[C@@H](NC2(CCCCC2)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)Nc1ccc(cc1)C(=O)NCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O
SMILES:Fc1c(Cl)cccc1[C@H]1[C@@H](NC2(CCCCC2)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)Nc1ccc(cc1)C(=O)NCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O

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