General Information of the Compound
| Compound ID |
CP0463191
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| Compound Name |
5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid (2-benzyl-phenyl)-amide
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| Structure |
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| Formula |
C25H20F3N3O
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| Molecular Weight |
435.449
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| Canonical SMILES |
Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1Cc1ccccc1
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| InChI |
InChI=1S/C25H20F3N3O/c1-17-14-23(30-31(17)21-12-7-11-20(16-21)25(26,27)28)24(32)29-22-13-6-5-10-19(22)15-18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,29,32)
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| InChIKey |
UNFATTHWEFKIAI-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