General Information of the Compound
| Compound ID |
CP0499305
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| Compound Name |
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H16BrCl2FN4O
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| Molecular Weight |
558.238
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| Canonical SMILES |
Fc1ccc(CNC(=O)c2nn(c(c2CC#N)-c2ccc(Cl)cc2)-c2ccccc2Cl)cc1Br
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| InChI |
InChI=1S/C25H16BrCl2FN4O/c26-19-13-15(5-10-21(19)29)14-31-25(34)23-18(11-12-30)24(16-6-8-17(27)9-7-16)33(32-23)22-4-2-1-3-20(22)28/h1-10,13H,11,14H2,(H,31,34)
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| InChIKey |
RAJBNWQWTHKCHD-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