General Information of the Compound
| Compound ID |
CP0528285
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| Compound Name |
1-(2-methoxyphenyl)-4-[2-(4-methoxyphenyl)sulfonylphenyl]triazole
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| Structure |
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| Formula |
C22H19N3O4S
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| Molecular Weight |
421.478
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)c1ccccc1-c1cn(nn1)-c1ccccc1OC
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| InChI |
InChI=1S/C22H19N3O4S/c1-28-16-11-13-17(14-12-16)30(26,27)22-10-6-3-7-18(22)19-15-25(24-23-19)20-8-4-5-9-21(20)29-2/h3-15H,1-2H3
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| InChIKey |
CUNZSDDPNJDFBM-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