General Information of the Compound
| Compound ID |
CP0915219
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| Compound Name |
(3R,4R,5S)-1-{[(3S,4R)-4-(2,4-Difluorophenyl)-1-isopropylpyrrolidin-3-yl]carbonyl}-4-(3-fluorophenyl)-3,5-dimethylpiperidin-4-ol Hydrochloride
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| Formula |
C27H34ClF3N2O2
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| Molecular Weight |
511.028
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| Canonical SMILES |
CC(C)N1C[C@@H](C(=O)N2C[C@@H](C)[C@](O)(c3cccc(F)c3)[C@@H](C)C2)[C@H](c2ccc(F)cc2F)C1.Cl
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| InChI |
InChI=1S/C27H33F3N2O2.ClH/c1-16(2)31-14-23(22-9-8-21(29)11-25(22)30)24(15-31)26(33)32-12-17(3)27(34,18(4)13-32)19-6-5-7-20(28)10-19;/h5-11,16-18,23-24,34H,12-15H2,1-4H3;1H/t17-,18+,23-,24+,27-;/m0./s1
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| InChIKey |
PTNAIWJLMLVIRX-OCSOTJJSSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound