General Information of the Compound
| Compound ID |
CP0485574
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| Compound Name |
1-(3-chloropyridin-2-yl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C22H21ClF3N5O
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| Molecular Weight |
463.891
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| Canonical SMILES |
Cc1cn(cn1)-c1cc(NC(=O)C2CCN(CC2)c2ncccc2Cl)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H21ClF3N5O/c1-14-12-31(13-28-14)18-10-16(22(24,25)26)9-17(11-18)29-21(32)15-4-7-30(8-5-15)20-19(23)3-2-6-27-20/h2-3,6,9-13,15H,4-5,7-8H2,1H3,(H,29,32)
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| InChIKey |
UAKYCDDZFKRVOC-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