General Information of the Compound
| Compound ID |
CP0398263
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| Compound Name |
2-(4-(2-(2,4-dichlorophenylsulfonamido)-4-(ethylcarbamoyl)phenoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C24H22Cl2N2O6S
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| Molecular Weight |
537.421
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| Canonical SMILES |
CCNC(=O)c1ccc(Oc2ccc(cc2)C(C)C(O)=O)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C24H22Cl2N2O6S/c1-3-27-23(29)16-6-10-21(34-18-8-4-15(5-9-18)14(2)24(30)31)20(12-16)28-35(32,33)22-11-7-17(25)13-19(22)26/h4-14,28H,3H2,1-2H3,(H,27,29)(H,30,31)
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| InChIKey |
CBFAHUUVLLYQRP-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