General Information of the Compound
| Compound ID |
CP0381734
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| Compound Name |
2-(3-((N-(4-tert-butylbenzyl)-1-(1-methyl-1H-imidazol-2-yl)methylsulfonamido)methyl)phenoxy)acetic acid
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| Structure |
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| Formula |
C25H31N3O5S
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| Molecular Weight |
485.606
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| Canonical SMILES |
Cn1ccnc1CS(=O)(=O)N(Cc1ccc(cc1)C(C)(C)C)Cc1cccc(OCC(O)=O)c1
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| InChI |
InChI=1S/C25H31N3O5S/c1-25(2,3)21-10-8-19(9-11-21)15-28(34(31,32)18-23-26-12-13-27(23)4)16-20-6-5-7-22(14-20)33-17-24(29)30/h5-14H,15-18H2,1-4H3,(H,29,30)
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| InChIKey |
TWMSTAGKFBLOEQ-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