General Information of the Compound
| Compound ID |
CP0395896
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| Compound Name |
2-(benzyloxy)-1-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C19H20F3N3O2
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| Molecular Weight |
379.382
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)COCc1ccccc1
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| InChI |
InChI=1S/C19H20F3N3O2/c20-19(21,22)16-7-4-8-23-18(16)25-11-9-24(10-12-25)17(26)14-27-13-15-5-2-1-3-6-15/h1-8H,9-14H2
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| InChIKey |
GUOCKTYMCJDPRB-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