General Information of the Compound
| Compound ID |
CP0459148
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| Compound Name |
2-(3-((N-(4-tert-butylbenzyl)methylsulfonamido)methyl)phenoxy)acetic acid
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| Structure |
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| Formula |
C21H27NO5S
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| Molecular Weight |
405.516
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| Canonical SMILES |
CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C21H27NO5S/c1-21(2,3)18-10-8-16(9-11-18)13-22(28(4,25)26)14-17-6-5-7-19(12-17)27-15-20(23)24/h5-12H,13-15H2,1-4H3,(H,23,24)
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| InChIKey |
KLIXJEYHVBGSAB-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