General Information of the Compound
| Compound ID |
CP0475056
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| Compound Name |
3-(4-(2-(2,4-dichlorophenylsulfonamido)-4-(ethylcarbamoyl)phenoxy)-3-methoxyphenyl)propanoic acid
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| Structure |
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| Formula |
C25H24Cl2N2O7S
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| Molecular Weight |
567.447
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| Canonical SMILES |
CCNC(=O)c1ccc(Oc2ccc(CCC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C25H24Cl2N2O7S/c1-3-28-25(32)16-6-9-20(36-21-8-4-15(5-11-24(30)31)12-22(21)35-2)19(13-16)29-37(33,34)23-10-7-17(26)14-18(23)27/h4,6-10,12-14,29H,3,5,11H2,1-2H3,(H,28,32)(H,30,31)
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| InChIKey |
YHHQAANNJRMXTM-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