General Information of the Compound
| Compound ID |
CP0456820
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| Compound Name |
1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-phenoxyphenyl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C27H22F6N2O3
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| Molecular Weight |
536.472
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C27H22F6N2O3/c28-26(29,30)19-12-18(13-20(14-19)27(31,32)33)25(37)35-11-5-6-17(16-35)24(36)34-21-7-4-10-23(15-21)38-22-8-2-1-3-9-22/h1-4,7-10,12-15,17H,5-6,11,16H2,(H,34,36)
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| InChIKey |
QETYFFHAWUQFJS-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