Name: DC41
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212667022
Cas No:1354787-69-1
常用名:DC41
IUPAC:N-{2-[(1S)-1-(chloromethyl)-5-hydroxy-1H,2H,3H-benzo[e]indole-3-carbonyl]-1H-indol-5-yl}-5-(4-methyl-4-sulfanylpentanamido)-1H-indole-2-carboxamide
IUPAC:N-{2-[(1S)-1-(chloromethyl)-5-hydroxy-1H,2H,3H-benzo[e]indole-3-carbonyl]-1H-indol-5-yl}-5-(4-methyl-4-sulfanylpentanamido)-1H-indole-2-carboxamide
InChI key:WVQLZKRXHPZHLA-JOCHJYFZSA-N

分子式:C37H34ClN5O4S
分子量:680.22
氢键供体数 (HBD):6
氢键受体数 (HBA):4
LogP:5.795952
SMILES:CC(C)(S)CCC(=O)Nc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21
SMILES:CC(C)(S)CCC(=O)Nc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21

DC41 is a derivative of DC1. DC1 is a simplified analogue of CC-1065, an antibody conjugate of cytotoxic DNA alkylating agents, used for targeted treatment of cancer.

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