General Information of the Compound
| Compound ID |
CP0055328
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| Compound Name |
2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
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| Structure |
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| Formula |
C20H19N5OS
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| Molecular Weight |
377.473
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| Canonical SMILES |
CC(C)(C(c1ccccc1)c1ccc2nncn2c1)C(=O)Nc1nccs1
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| InChI |
InChI=1S/C20H19N5OS/c1-20(2,18(26)23-19-21-10-11-27-19)17(14-6-4-3-5-7-14)15-8-9-16-24-22-13-25(16)12-15/h3-13,17H,1-2H3,(H,21,23,26)
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| InChIKey |
TYSMLUZJDMRTJW-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