General Information of the Compound
| Compound ID |
CP0511514
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| Compound Name |
N-(3-cyanophenyl)-3-(6-methylpyridin-2-yl)-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
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| Structure |
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| Formula |
C24H18N8S
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| Molecular Weight |
450.531
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| Canonical SMILES |
Cc1nc2ccc(cn2n1)-c1cn(nc1-c1cccc(C)n1)C(=S)Nc1cccc(c1)C#N
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| InChI |
InChI=1S/C24H18N8S/c1-15-5-3-8-21(26-15)23-20(18-9-10-22-27-16(2)29-31(22)13-18)14-32(30-23)24(33)28-19-7-4-6-17(11-19)12-25/h3-11,13-14H,1-2H3,(H,28,33)
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| InChIKey |
AJKCRAIFDAOTLV-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