General Information of the Compound
| Compound ID |
CP0438658
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| Compound Name |
2-[4-(2,1,3-benzothiadiazol-5-yl)-3-(6-methylpyridin-2-yl)pyrazol-1-yl]-N-phenylacetamide
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| Structure |
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| Formula |
C23H18N6OS
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| Molecular Weight |
426.505
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(CC(=O)Nc2ccccc2)cc1-c1ccc2nsnc2c1
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| InChI |
InChI=1S/C23H18N6OS/c1-15-6-5-9-20(24-15)23-18(16-10-11-19-21(12-16)28-31-27-19)13-29(26-23)14-22(30)25-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,25,30)
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| InChIKey |
SGRUFRVQDUAMQS-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