General Information of the Compound
| Compound ID |
CP0444324
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| Compound Name |
N-pyridin-3-yl-4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C25H24F3N3O2
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| Molecular Weight |
455.48
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1
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| InChI |
InChI=1S/C25H24F3N3O2/c26-25(27,28)20-6-8-22(9-7-20)33-23-5-1-3-19(16-23)15-18-10-13-31(14-11-18)24(32)30-21-4-2-12-29-17-21/h1-9,12,16-18H,10-11,13-15H2,(H,30,32)
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| InChIKey |
FOCCPJOEDPOJRP-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
Protein ID: PT01103, Bifunctional epoxide hydrolase 2
Protein ID: PT01099, Fatty-acid amide hydrolase 1