General Information of the Compound
| Compound ID |
CP0505640
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| Compound Name |
N-(4-methylphenyl)-3-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
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| Structure |
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| Formula |
C23H19N7S
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| Molecular Weight |
425.521
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| Canonical SMILES |
Cc1ccc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc1
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| InChI |
InChI=1S/C23H19N7S/c1-15-6-9-18(10-7-15)27-23(31)30-13-19(17-8-11-21-24-14-25-29(21)12-17)22(28-30)20-5-3-4-16(2)26-20/h3-14H,1-2H3,(H,27,31)
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| InChIKey |
IMHWIHXPHJJZTK-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