General Information of the Compound
| Compound ID |
CP0197096
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| Compound Name |
(3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C31H34F7N3O3
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| Molecular Weight |
629.617
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C31H34F7N3O3/c1-18-12-24(32)4-5-25(18)27-17-41(28(43)21-6-9-40(10-7-21)19(2)42)11-8-26(27)29(44)39(3)16-20-13-22(30(33,34)35)15-23(14-20)31(36,37)38/h4-5,12-15,21,26-27H,6-11,16-17H2,1-3H3/t26-,27+/m0/s1
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| InChIKey |
SIHCCJJWSBAMTD-RRPNLBNLSA-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