General Information of the Compound
| Compound ID |
CP0429736
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| Compound Name |
7-(N-(4-(1-hydroxyhexyl)benzyl)methylsulfonamido)heptanoic acid
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| Structure |
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| Formula |
C21H35NO5S
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| Molecular Weight |
413.58
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| Canonical SMILES |
CCCCCC(O)c1ccc(CN(CCCCCCC(O)=O)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C21H35NO5S/c1-3-4-7-10-20(23)19-14-12-18(13-15-19)17-22(28(2,26)27)16-9-6-5-8-11-21(24)25/h12-15,20,23H,3-11,16-17H2,1-2H3,(H,24,25)
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| InChIKey |
PEGKTVODCSBWQI-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