General Information of the Compound
| Compound ID |
CP0379518
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| Compound Name |
7-((S)-2-((R)-4-(3-cyanophenyl)-3-hydroxybutyl)-5-oxopyrrolidin-1-yl)heptanoic acid
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| Structure |
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| Formula |
C22H30N2O4
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| Molecular Weight |
386.492
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| Canonical SMILES |
O[C@H](CC[C@H]1CCC(=O)N1CCCCCCC(O)=O)Cc1cccc(c1)C#N
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| InChI |
InChI=1S/C22H30N2O4/c23-16-18-7-5-6-17(14-18)15-20(25)11-9-19-10-12-21(26)24(19)13-4-2-1-3-8-22(27)28/h5-7,14,19-20,25H,1-4,8-13,15H2,(H,27,28)/t19-,20+/m0/s1
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| InChIKey |
GZYGDVPAEYSBBK-VQTJNVASSA-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