General Information of the Compound
| Compound ID |
CP0356331
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| Compound Name |
4-(benzenesulfonyl)-1-(2,5-dimethoxyphenyl)-5-methyltriazole
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| Structure |
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| Formula |
C17H17N3O4S
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| Molecular Weight |
359.407
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| Canonical SMILES |
COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C17H17N3O4S/c1-12-17(25(21,22)14-7-5-4-6-8-14)18-19-20(12)15-11-13(23-2)9-10-16(15)24-3/h4-11H,1-3H3
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| InChIKey |
ZWGOBADKIHKJTG-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