General Information of the Compound
| Compound ID |
CP0501913
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| Compound Name |
N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1H-imidazole-5-carboxamide
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| Structure |
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| Formula |
C31H37F6N7O
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| Molecular Weight |
637.673
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| Canonical SMILES |
CC(C)CN1CCCCC1CNC(=O)c1[nH]c(nc1-c1ccc(cc1)C(F)(F)F)N1CCN(CC1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C31H37F6N7O/c1-20(2)19-44-13-4-3-6-23(44)18-39-28(45)26-25(21-8-10-22(11-9-21)30(32,33)34)40-29(41-26)43-16-14-42(15-17-43)27-24(31(35,36)37)7-5-12-38-27/h5,7-12,20,23H,3-4,6,13-19H2,1-2H3,(H,39,45)(H,40,41)
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| InChIKey |
VXQJDXAWIYEKSX-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