General Information of the Compound
| Compound ID |
CP0429739
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| Compound Name |
3-(3-((N-(4-tert-butylbenzyl)methylsulfonamido)methyl)phenyl)propanoic acid
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| Structure |
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| Formula |
C22H29NO4S
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| Molecular Weight |
403.544
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| Canonical SMILES |
CC(C)(C)c1ccc(CN(Cc2cccc(CCC(O)=O)c2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C22H29NO4S/c1-22(2,3)20-11-8-18(9-12-20)15-23(28(4,26)27)16-19-7-5-6-17(14-19)10-13-21(24)25/h5-9,11-12,14H,10,13,15-16H2,1-4H3,(H,24,25)
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| InChIKey |
QQZAPBSSIZZJJM-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