General Information of the Compound
| Compound ID |
CP0468137
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| Compound Name |
5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid (4-fluoro-phenyl)-amide
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| Structure |
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| Formula |
C18H13F4N3O
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| Molecular Weight |
363.314
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| Canonical SMILES |
Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C18H13F4N3O/c1-11-9-16(17(26)23-14-7-5-13(19)6-8-14)24-25(11)15-4-2-3-12(10-15)18(20,21)22/h2-10H,1H3,(H,23,26)
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| InChIKey |
LZKPNQPNLWRNFX-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