General Information of the Compound
| Compound ID |
CP0471585
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(6-(trifluoromethyl)pyridin-3-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C24H14Cl2F3N5O
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| Molecular Weight |
516.31
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)c2nn(c(c2CC#N)-c2ccc(Cl)cc2)-c2ccccc2Cl)cn1
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| InChI |
InChI=1S/C24H14Cl2F3N5O/c25-15-7-5-14(6-8-15)22-17(11-12-30)21(33-34(22)19-4-2-1-3-18(19)26)23(35)32-16-9-10-20(31-13-16)24(27,28)29/h1-10,13H,11H2,(H,32,35)
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| InChIKey |
SKZVTNBNJGVZRH-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