General Information of the Compound
| Compound ID |
CP0438266
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| Compound Name |
(3R,4R)-1-acetyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C24H24F6N2O2
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| Molecular Weight |
486.456
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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]1c1ccccc1)C(C)=O
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| InChI |
InChI=1S/C24H24F6N2O2/c1-15(33)32-9-8-20(21(14-32)17-6-4-3-5-7-17)22(34)31(2)13-16-10-18(23(25,26)27)12-19(11-16)24(28,29)30/h3-7,10-12,20-21H,8-9,13-14H2,1-2H3/t20-,21+/m1/s1
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| InChIKey |
LLLBSBOCJOVWQT-RTWAWAEBSA-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