IDO-IN-8
HIT212671477
sdf文件结构编辑类似物检索
HIT ID: HIT212671477
Cas No: 1402837-77-7
分子式: C18H21FN2O2
分子量: 316.376
常用名: IDO-IN-8
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 1.7565641
IUPAC: (1S,4r)-4-[(1S)-2-[(5R)-6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
IUPAC: (1S,4r)-4-[(1S)-2-[(5R)-6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
SMILES: [H][C@@]1(CC[C@H](O)CC1)[C@@H](O)C[C@@H]1c2c(cccc2F)-c2cncn12 |wU:1.8,wD:4.4,1.0,8.9,11.11,(6.38,-4.26,;5.06,-5.06,;6.41,-5.8,;6.44,-7.34,;5.12,-8.14,;5.15,-9.68,;3.77,-7.39,;3.74,-5.85,;5.03,-3.52,;6.35,-2.72,;3.68,-2.77,;3.65,-1.23,;2.39,-.35,;2.83,1.12,;1.78,2.24,;.28,1.89,;-.17,.42,;.89,-.7,;.44,-2.18,;4.37,1.15,;5.6,2.08,;6.86,1.2,;6.42,-.27,;4.88,-.3,)|
SMILES: [H][C@@]1(CC[C@H](O)CC1)[C@@H](O)C[C@@H]1c2c(cccc2F)-c2cncn12 |wU:1.8,wD:4.4,1.0,8.9,11.11,(6.38,-4.26,;5.06,-5.06,;6.41,-5.8,;6.44,-7.34,;5.12,-8.14,;5.15,-9.68,;3.77,-7.39,;3.74,-5.85,;5.03,-3.52,;6.35,-2.72,;3.68,-2.77,;3.65,-1.23,;2.39,-.35,;2.83,1.12,;1.78,2.24,;.28,1.89,;-.17,.42,;.89,-.7,;.44,-2.18,;4.37,1.15,;5.6,2.08,;6.86,1.2,;6.42,-.27,;4.88,-.3,)|
InChI key: YGACXVRLDHEXKY-RYPCIWMOSA-N
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