General Information of the Compound
| Compound ID |
CP0438933
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| Compound Name |
N-(piperidin-2-ylmethyl)-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 |
C27H29F6N7O
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| Molecular Weight |
581.565
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1nc([nH]c1C(=O)NCC1CCCCN1)N1CCN(CC1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C27H29F6N7O/c28-26(29,30)18-8-6-17(7-9-18)21-22(24(41)36-16-19-4-1-2-10-34-19)38-25(37-21)40-14-12-39(13-15-40)23-20(27(31,32)33)5-3-11-35-23/h3,5-9,11,19,34H,1-2,4,10,12-16H2,(H,36,41)(H,37,38)
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| InChIKey |
PMASSUQNNSJZIK-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