General Information of the Compound
| Compound ID |
CP0448046
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| Compound Name |
(2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-trifluoromethyl-phenylamino)-[1,4']bipiperidinyl-1'-yl]-methanone
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| Structure |
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| Formula |
C27H34F3N3O
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| Molecular Weight |
473.583
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| Canonical SMILES |
Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H34F3N3O/c1-19-5-4-6-20(2)24(19)25(34)32-17-13-26(3,14-18-32)33-15-11-23(12-16-33)31-22-9-7-21(8-10-22)27(28,29)30/h4-10,23,31H,11-18H2,1-3H3
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| InChIKey |
ZWHIPXXJCJBHBG-UHFFFAOYSA-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