TDP665759
HIT212689226
sdf文件结构编辑类似物检索
HIT ID: HIT212689226
Cas No: 787632-66-0
分子式: C31H34Cl2IN5O2
分子量: 706.45
常用名: TDP665759
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 5.385653
IUPAC: (3S)-4-[(1R)-1-(2-amino-4-chlorophenyl)ethyl]-3-(4-chlorophenyl)-7-iodo-1-[3-(4-methylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
IUPAC: (3S)-4-[(1R)-1-(2-amino-4-chlorophenyl)ethyl]-3-(4-chlorophenyl)-7-iodo-1-[3-(4-methylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
SMILES: C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N
SMILES: C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N
InChI key: NUKCQDDVORQLDB-OLILMLBXSA-N
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