XL413
HIT212657730
sdf文件结构编辑类似物检索
HIT ID: HIT212657730
Cas No: 1169558-38-6
分子式: C14H12ClN3O2
分子量: 289.72
常用名: XL413
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 0.6251972
IUPAC: 12-chloro-4-[(2S)-pyrrolidin-2-yl]-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-6-one
IUPAC: 12-chloro-4-[(2S)-pyrrolidin-2-yl]-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-6-one
SMILES: Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
SMILES: Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
InChI key: JJWLXRKVUJDJKG-VIFPVBQESA-N
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