General Information of the Compound
| Compound ID |
CP0538662
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| Compound Name |
1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
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| Structure |
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| Formula |
C19H18F3N3O4
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| Molecular Weight |
409.364
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1N1CCN(CC1)C(=O)COc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C19H18F3N3O4/c20-19(21,22)14-5-1-4-8-17(14)29-13-18(26)24-11-9-23(10-12-24)15-6-2-3-7-16(15)25(27)28/h1-8H,9-13H2
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| InChIKey |
PXYUCOYELQYDLT-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