General Information of the Compound
| Compound ID |
CP0452520
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| Compound Name |
4-[[3-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioyl]amino]benzamide
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| Structure |
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| Formula |
C23H18N8OS
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| Molecular Weight |
454.519
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C23H18N8OS/c1-14-3-2-4-19(27-14)21-18(16-7-10-20-25-13-26-30(20)11-16)12-31(29-21)23(33)28-17-8-5-15(6-9-17)22(24)32/h2-13H,1H3,(H2,24,32)(H,28,33)
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| InChIKey |
FQZQPGLOFYFDDO-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