General Information of the Compound
| Compound ID |
CP0507448
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| Compound Name |
N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridin-2-yl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C24H22N6O2S
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| Molecular Weight |
458.547
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| Canonical SMILES |
COc1ccc(CNc2nc(c(s2)-c2ccc3ncnn3c2)-c2cccc(C)n2)cc1OC
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| InChI |
InChI=1S/C24H22N6O2S/c1-15-5-4-6-18(28-15)22-23(17-8-10-21-26-14-27-30(21)13-17)33-24(29-22)25-12-16-7-9-19(31-2)20(11-16)32-3/h4-11,13-14H,12H2,1-3H3,(H,25,29)
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| InChIKey |
NPKLXIBDXVXQBM-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