PARP-1-IN-23
HIT218850508
sdf文件结构编辑类似物检索
HIT ID: HIT218850508
Cas No: 2976497-48-8
分子式: C22H18BrN3O5S
分子量: 516.37
常用名: PARP-1-IN-23
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-bromo-4-(7-carbamoyl-1H-1,3-benzodiazol-2-yl)-6-methoxyphenyl 2-methylbenzene-1-sulfonate
IUPAC: 2-bromo-4-(7-carbamoyl-1H-1,3-benzodiazol-2-yl)-6-methoxyphenyl 2-methylbenzene-1-sulfonate
SMILES: COc1cc(cc(Br)c1OS(=O)(=O)c1ccccc1C)-c1nc2cccc(C(N)=O)c2[nH]1
SMILES: COc1cc(cc(Br)c1OS(=O)(=O)c1ccccc1C)-c1nc2cccc(C(N)=O)c2[nH]1
InChI key: FWZXLBLAODSAKH-UHFFFAOYSA-N
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