General Information of the Compound
| Compound ID |
CP0908172
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| Compound Name |
1-Phenyl-3-(p-tolyl)-N-(p-tolylcarbamothioyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C25H22N4OS
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| Molecular Weight |
426.545
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| Canonical SMILES |
Cc1ccc(NC(=S)NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C25H22N4OS/c1-17-8-12-19(13-9-17)23-22(16-29(28-23)21-6-4-3-5-7-21)24(30)27-25(31)26-20-14-10-18(2)11-15-20/h3-16H,1-2H3,(H2,26,27,30,31)
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| InChIKey |
GUWIPPRZYFNPFL-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