Name: IDO-IN-6
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212671476
Cas No:1402837-76-6
常用名:IDO-IN-6
别名:NLG-1486
IUPAC:(1S,4r)-4-[(1S)-2-[(5S)-6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
IUPAC:(1S,4r)-4-[(1S)-2-[(5S)-6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
InChI key:YGACXVRLDHEXKY-HJXMPXNTSA-N

分子式:C18H21FN2O2
分子量:316.376
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:1.7565641
SMILES:[H][C@@]1(CC[C@H](O)CC1)[C@@H](O)C[C@H]1c2c(cccc2F)-c2cncn12 |wU:1.8,11.11,wD:4.4,1.0,8.9,(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:1.8,11.11,wD:4.4,1.0,8.9,(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,)|

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