General Information of the Compound
| Compound ID |
CP0502786
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| Compound Name |
2-(3-(4-((ethylamino)methyl)-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
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| Structure |
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| Formula |
C23H24N2O5S
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| Molecular Weight |
440.521
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| Canonical SMILES |
CCNCc1ccc(Oc2cccc(CC(O)=O)c2)c(NS(=O)(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C23H24N2O5S/c1-2-24-16-18-11-12-22(30-19-8-6-7-17(13-19)15-23(26)27)21(14-18)25-31(28,29)20-9-4-3-5-10-20/h3-14,24-25H,2,15-16H2,1H3,(H,26,27)
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| InChIKey |
WHRRGNWPBXIQLV-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