General Information of the Compound
| Compound ID |
CP0390160
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| Compound Name |
N-(3,5-dimethylphenyl)-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 |
C24H21N7S
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| Molecular Weight |
439.548
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| Canonical SMILES |
Cc1cc(C)cc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1
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| InChI |
InChI=1S/C24H21N7S/c1-15-9-16(2)11-19(10-15)28-24(32)31-13-20(18-7-8-22-25-14-26-30(22)12-18)23(29-31)21-6-4-5-17(3)27-21/h4-14H,1-3H3,(H,28,32)
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| InChIKey |
NTGRBICGXVHAEF-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