General Information of the Compound
| Compound ID |
CP0442355
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| Compound Name |
4-(3-(2-(3-hydroxy-4-(3-phenoxyphenyl)butyl)-5-oxopyrrolidin-1-yl)propyl)benzoic acid
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| Structure |
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| Formula |
C30H33NO5
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| Molecular Weight |
487.596
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| Canonical SMILES |
OC(CCC1CCC(=O)N1CCCc1ccc(cc1)C(O)=O)Cc1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C30H33NO5/c32-26(20-23-6-4-10-28(21-23)36-27-8-2-1-3-9-27)17-15-25-16-18-29(33)31(25)19-5-7-22-11-13-24(14-12-22)30(34)35/h1-4,6,8-14,21,25-26,32H,5,7,15-20H2,(H,34,35)
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| InChIKey |
SDEZJSYVFCHZOB-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