General Information of the Compound
| Compound ID |
CP0476283
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| Compound Name |
1-[5-hydroxy-3-(3-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone
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| Structure |
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| Formula |
C20H19F3N2O3
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| Molecular Weight |
392.377
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| Canonical SMILES |
COc1ccc(CC(=O)N2N=C(CC2(O)C(F)(F)F)c2cccc(C)c2)cc1
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| InChI |
InChI=1S/C20H19F3N2O3/c1-13-4-3-5-15(10-13)17-12-19(27,20(21,22)23)25(24-17)18(26)11-14-6-8-16(28-2)9-7-14/h3-10,27H,11-12H2,1-2H3
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| InChIKey |
UIHRDNXYPUBHLK-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