General Information of the Compound
| Compound ID |
CP0436859
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(2-(4-(3-chlorophenyl)-3-hydroxybutyl)-5-oxopyrrolidin-1-yl)heptanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H30ClNO4
|
||||||||||||||||||
| Molecular Weight |
395.927
|
||||||||||||||||||
| Canonical SMILES |
OC(CCC1CCC(=O)N1CCCCCCC(O)=O)Cc1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30ClNO4/c22-17-7-5-6-16(14-17)15-19(24)11-9-18-10-12-20(25)23(18)13-4-2-1-3-8-21(26)27/h5-7,14,18-19,24H,1-4,8-13,15H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NGRWIKNLASBEQP-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05828, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype