General Information of the Compound
| Compound ID |
CP0491156
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| Compound Name |
4-(2-(2,4-dichlorophenylsulfonamido)-4-(ethylcarbamoyl)phenoxy)-3-methoxybenzoic acid
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| Structure |
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| Formula |
C23H20Cl2N2O7S
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| Molecular Weight |
539.393
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| Canonical SMILES |
CCNC(=O)c1ccc(Oc2ccc(cc2OC)C(O)=O)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C23H20Cl2N2O7S/c1-3-26-22(28)13-4-7-18(34-19-8-5-14(23(29)30)11-20(19)33-2)17(10-13)27-35(31,32)21-9-6-15(24)12-16(21)25/h4-12,27H,3H2,1-2H3,(H,26,28)(H,29,30)
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| InChIKey |
ZIUDTBKQKWMUPM-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
Protein ID: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2