General Information of the Compound
| Compound ID |
CP0397708
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| Compound Name |
5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid (3-trifluoromethoxy-phenyl)-amide
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| Structure |
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| Formula |
C19H13F6N3O2
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| Molecular Weight |
429.32
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| Canonical SMILES |
Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(OC(F)(F)F)c1
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| InChI |
InChI=1S/C19H13F6N3O2/c1-11-8-16(27-28(11)14-6-2-4-12(9-14)18(20,21)22)17(29)26-13-5-3-7-15(10-13)30-19(23,24)25/h2-10H,1H3,(H,26,29)
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| InChIKey |
HTTYFRXIDKJXFB-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