General Information of the Compound
| Compound ID |
CP0455176
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| Compound Name |
1-(3,4-dichlorophenyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C19H14Cl2F3N3O
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| Molecular Weight |
428.241
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| Canonical SMILES |
Cc1c(cnn1-c1ccc(Cl)c(Cl)c1)C(=O)NCc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H14Cl2F3N3O/c1-11-15(10-26-27(11)14-5-6-16(20)17(21)8-14)18(28)25-9-12-3-2-4-13(7-12)19(22,23)24/h2-8,10H,9H2,1H3,(H,25,28)
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| InChIKey |
OAQDGHMVRCDJGK-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