General Information of the Compound
| Compound ID |
CP0448371
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| Compound Name |
(3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C22H22F6N2O
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| Molecular Weight |
444.419
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCNC[C@H]1c1ccccc1
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| InChI |
InChI=1S/C22H22F6N2O/c1-30(13-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28)20(31)18-7-8-29-12-19(18)15-5-3-2-4-6-15/h2-6,9-11,18-19,29H,7-8,12-13H2,1H3/t18-,19+/m1/s1
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| InChIKey |
GKSQDEZTFBLUHC-MOPGFXCFSA-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