General Information of the Compound
| Compound ID |
CP0439428
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| Compound Name |
4-(3-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)phenyl)butyl)-5-oxopyrrolidin-1-yl)propyl)benzoic acid
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| Structure |
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| Formula |
C25H28F3NO4
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| Molecular Weight |
463.496
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| Canonical SMILES |
O[C@H](CC[C@H]1CCC(=O)N1CCCc1ccc(cc1)C(O)=O)Cc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H28F3NO4/c26-25(27,28)20-5-1-3-18(15-20)16-22(30)12-10-21-11-13-23(31)29(21)14-2-4-17-6-8-19(9-7-17)24(32)33/h1,3,5-9,15,21-22,30H,2,4,10-14,16H2,(H,32,33)/t21-,22+/m0/s1
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| InChIKey |
SRSAPNTYWCSITR-FCHUYYIVSA-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