General Information of the Compound
| Compound ID |
CP0870831
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| Compound Name |
3-(4-Methoxyphenyl)-1-phenyl-N-(p-tolylcarbamothioyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C25H22N4O2S
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| Molecular Weight |
442.544
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| Canonical SMILES |
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC(=S)Nc2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C25H22N4O2S/c1-17-8-12-19(13-9-17)26-25(32)27-24(30)22-16-29(20-6-4-3-5-7-20)28-23(22)18-10-14-21(31-2)15-11-18/h3-16H,1-2H3,(H2,26,27,30,32)
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| InChIKey |
CYDLLVRGTOAFHG-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