ASP-4058
HIT212686970
sdf文件结构编辑类似物检索
HIT ID: HIT212686970
Cas No: 952565-91-2
分子式: C19H12F6N4O2
分子量: 442.321
常用名: ASP-4058
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 5.5368843
IUPAC: 6-{5-[3-(trifluoromethyl)-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole
IUPAC: 6-{5-[3-(trifluoromethyl)-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole
SMILES: C[C@H](Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2nc[nH]c2c1)C(F)(F)F
SMILES: C[C@H](Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2nc[nH]c2c1)C(F)(F)F
InChI key: NJNXCJPSMWKXHO-VIFPVBQESA-N
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