General Information of the Compound
| Compound ID |
CP0554652
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| Compound Name |
4-[2-[1-(2,3-dimethoxyphenyl)triazol-4-yl]phenyl]sulfonylaniline
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| Structure |
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| Formula |
C22H20N4O4S
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| Molecular Weight |
436.493
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| Canonical SMILES |
COc1cccc(c1OC)-n1cc(nn1)-c1ccccc1S(=O)(=O)c1ccc(N)cc1
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| InChI |
InChI=1S/C22H20N4O4S/c1-29-20-8-5-7-19(22(20)30-2)26-14-18(24-25-26)17-6-3-4-9-21(17)31(27,28)16-12-10-15(23)11-13-16/h3-14H,23H2,1-2H3
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| InChIKey |
CNPSRCRINBHVEL-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