General Information of the Compound
| Compound ID |
CP0443786
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| Compound Name |
1-(2,5-dimethoxyphenyl)-4-[2-(4-nitrophenyl)sulfonylphenyl]triazole
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| Structure |
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| Formula |
C22H18N4O6S
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| Molecular Weight |
466.475
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| Canonical SMILES |
COc1ccc(OC)c(c1)-n1cc(nn1)-c1ccccc1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H18N4O6S/c1-31-16-9-12-21(32-2)20(13-16)25-14-19(23-24-25)18-5-3-4-6-22(18)33(29,30)17-10-7-15(8-11-17)26(27)28/h3-14H,1-2H3
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| InChIKey |
YSEMYKJZKPIIHO-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