General Information of the Compound
| Compound ID |
CP0454890
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| Compound Name |
(3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C31H35F6N3O3
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| Molecular Weight |
611.627
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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]1c1cccc(C)c1)C(=O)C1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C31H35F6N3O3/c1-19-5-4-6-23(13-19)27-18-40(28(42)22-7-10-39(11-8-22)20(2)41)12-9-26(27)29(43)38(3)17-21-14-24(30(32,33)34)16-25(15-21)31(35,36)37/h4-6,13-16,22,26-27H,7-12,17-18H2,1-3H3/t26-,27+/m0/s1
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| InChIKey |
OXJUZTACUSEKPM-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