General Information of the Compound
| Compound ID |
CP0433692
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| Compound Name |
1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-cyanophenyl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C22H17F6N3O2
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| Molecular Weight |
469.385
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(c1)C#N
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| InChI |
InChI=1S/C22H17F6N3O2/c23-21(24,25)16-8-15(9-17(10-16)22(26,27)28)20(33)31-6-2-4-14(12-31)19(32)30-18-5-1-3-13(7-18)11-29/h1,3,5,7-10,14H,2,4,6,12H2,(H,30,32)
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| InChIKey |
LMHNOSNZKIDUKX-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