General Information of the Compound
| Compound ID |
CP0502787
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| Compound Name |
2-(3-(4-amino-2-(4-chlorophenylsulfonamido)phenoxy)phenyl)acetic acid
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| Structure |
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| Formula |
C20H17ClN2O5S
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| Molecular Weight |
432.885
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| Canonical SMILES |
Nc1ccc(Oc2cccc(CC(O)=O)c2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C20H17ClN2O5S/c21-14-4-7-17(8-5-14)29(26,27)23-18-12-15(22)6-9-19(18)28-16-3-1-2-13(10-16)11-20(24)25/h1-10,12,23H,11,22H2,(H,24,25)
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| InChIKey |
KJAGTNQZIYPSQP-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