General Information of the Compound
| Compound ID |
CP0513693
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| Compound Name |
2-(2-chlorophenyl)-1-[5-hydroxy-3-(2-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
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| Structure |
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| Formula |
C19H16ClF3N2O2
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| Molecular Weight |
396.796
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| Canonical SMILES |
Cc1ccccc1C1=NN(C(=O)Cc2ccccc2Cl)C(O)(C1)C(F)(F)F
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| InChI |
InChI=1S/C19H16ClF3N2O2/c1-12-6-2-4-8-14(12)16-11-18(27,19(21,22)23)25(24-16)17(26)10-13-7-3-5-9-15(13)20/h2-9,27H,10-11H2,1H3
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| InChIKey |
ICMMEXRCHARUOS-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