General Information of the Compound
| Compound ID |
CP0435419
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| Compound Name |
7-((S)-2-(3-hydroxy-4-phenylbutyl)-5-oxopyrrolidin-1-yl)heptanoic acid
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| Structure |
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| Formula |
C21H31NO4
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| Molecular Weight |
361.482
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| Canonical SMILES |
OC(CC[C@H]1CCC(=O)N1CCCCCCC(O)=O)Cc1ccccc1
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| InChI |
InChI=1S/C21H31NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,18-19,23H,1-2,6-7,10-16H2,(H,25,26)/t18-,19?/m0/s1
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| InChIKey |
WMEUGWYECRHASZ-OYKVQYDMSA-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