General Information of the Compound
| Compound ID |
CP0444325
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| Compound Name |
4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]benzoic acid
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| Structure |
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| Formula |
C21H15F3N2O5
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| Molecular Weight |
432.354
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| Canonical SMILES |
OC(=O)c1ccc(Oc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1
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| InChI |
InChI=1S/C21H15F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-12H,(H,27,28)(H2,25,26,29)
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| InChIKey |
CLWASWNEAHTOFE-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