Onalespib lactate
HIT212713182
sdf文件结构编辑类似物检索
HIT ID: HIT212713182
Cas No: 1019889-35-0
分子式: C27H37N3O6
分子量: 499.608
常用名: Onalespib lactate
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 3.1916428
IUPAC: (2S)-2-hydroxypropanoic acid; 4-{5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole-2-carbonyl}-6-(propan-2-yl)benzene-1,3-diol
IUPAC: (2S)-2-hydroxypropanoic acid; 4-{5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole-2-carbonyl}-6-(propan-2-yl)benzene-1,3-diol
SMILES: C[C@H](O)C(O)=O.CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O
SMILES: C[C@H](O)C(O)=O.CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O
InChI key: VYRWEWHOAMGLLW-WNQIDUERSA-N
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