General Information of the Compound
| Compound ID |
CP0423583
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| Compound Name |
1-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole
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| Structure |
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| Formula |
C18H19N3O5S
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| Molecular Weight |
389.433
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)c1nnn(c1C)-c1cc(OC)ccc1OC
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| InChI |
InChI=1S/C18H19N3O5S/c1-12-18(27(22,23)15-8-5-13(24-2)6-9-15)19-20-21(12)16-11-14(25-3)7-10-17(16)26-4/h5-11H,1-4H3
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| InChIKey |
KNSCGQXSALZQIG-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