General Information of the Compound
| Compound ID |
CP0398462
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| Compound Name |
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3,4-dichlorophenyl)-N-piperidin-4-ylacetamide
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| Structure |
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| Formula |
C21H18Cl2F6N2O2
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| Molecular Weight |
515.281
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| Canonical SMILES |
FC(F)(F)c1cc(OCC(=O)N(C2CCNCC2)c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H18Cl2F6N2O2/c22-17-2-1-15(10-18(17)23)31(14-3-5-30-6-4-14)19(32)11-33-16-8-12(20(24,25)26)7-13(9-16)21(27,28)29/h1-2,7-10,14,30H,3-6,11H2
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| InChIKey |
PPOUETANRCKMLN-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