General Information of the Compound
| Compound ID |
CP0514703
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| Compound Name |
3-(3-(N-(4-butylbenzyl)methylsulfonamido)phenyl)propanoic acid
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| Structure |
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| Formula |
C21H27NO4S
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| Molecular Weight |
389.517
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| Canonical SMILES |
CCCCc1ccc(CN(c2cccc(CCC(O)=O)c2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C21H27NO4S/c1-3-4-6-17-9-11-19(12-10-17)16-22(27(2,25)26)20-8-5-7-18(15-20)13-14-21(23)24/h5,7-12,15H,3-4,6,13-14,16H2,1-2H3,(H,23,24)
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| InChIKey |
FDWQOVZKUZZVBT-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: PT05828, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype