General Information of the Compound
| Compound ID |
CP0390159
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| Compound Name |
N-(1-methylpiperidin-4-yl)-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 |
C22H24N8S
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| Molecular Weight |
432.557
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| Canonical SMILES |
CN1CCC(CC1)NC(=S)n1cc(c(n1)-c1cccc(C)n1)-c1ccc2ncnn2c1
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| InChI |
InChI=1S/C22H24N8S/c1-15-4-3-5-19(25-15)21-18(16-6-7-20-23-14-24-29(20)12-16)13-30(27-21)22(31)26-17-8-10-28(2)11-9-17/h3-7,12-14,17H,8-11H2,1-2H3,(H,26,31)
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| InChIKey |
SYJHUMZUDUDJLA-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