General Information of the Compound
| Compound ID |
CP0436870
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| Compound Name |
4-(3-(2-(4-(4-fluorophenyl)-3-hydroxybutyl)-5-oxopyrrolidin-1-yl)propyl)benzoic acid
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| Structure |
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| Formula |
C24H28FNO4
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| Molecular Weight |
413.489
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| Canonical SMILES |
OC(CCC1CCC(=O)N1CCCc1ccc(cc1)C(O)=O)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C24H28FNO4/c25-20-9-5-18(6-10-20)16-22(27)13-11-21-12-14-23(28)26(21)15-1-2-17-3-7-19(8-4-17)24(29)30/h3-10,21-22,27H,1-2,11-16H2,(H,29,30)
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| InChIKey |
ZSPAEDJDADQTKU-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: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT05828, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype