General Information of the Compound
| Compound ID |
CP0271432
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| Compound Name |
4-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]sulfonylphenol
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| Formula |
C17H17N3O5S
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| Molecular Weight |
375.406
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| Canonical SMILES |
COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C17H17N3O5S/c1-11-17(26(22,23)14-7-4-12(21)5-8-14)18-19-20(11)15-10-13(24-2)6-9-16(15)25-3/h4-10,21H,1-3H3
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| InChIKey |
SERHTPMJGAUCNN-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