General Information of the Compound
| Compound ID |
CP0549329
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| Compound Name |
(2R,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-N-methylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C27H32F7N3O2
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| Molecular Weight |
563.558
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| Canonical SMILES |
COCCN[C@H]1CCN([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)[C@H](C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H32F7N3O2/c1-16-11-21(28)5-6-23(16)24-15-22(35-8-10-39-4)7-9-37(24)25(38)36(3)17(2)18-12-19(26(29,30)31)14-20(13-18)27(32,33)34/h5-6,11-14,17,22,24,35H,7-10,15H2,1-4H3/t17-,22+,24-/m1/s1
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| InChIKey |
PBEASVYBIYWASR-OUPRXKBMSA-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