General Information of the Compound
| Compound ID |
CP0496654
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| Compound Name |
2-(3-(4-methoxy-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
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| Structure |
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| Formula |
C21H19NO6S
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| Molecular Weight |
413.451
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| Canonical SMILES |
COc1ccc(Oc2cccc(CC(O)=O)c2)c(NS(=O)(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C21H19NO6S/c1-27-16-10-11-20(28-17-7-5-6-15(12-17)13-21(23)24)19(14-16)22-29(25,26)18-8-3-2-4-9-18/h2-12,14,22H,13H2,1H3,(H,23,24)
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| InChIKey |
SBVYTWNHKAGTKI-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