General Information of the Compound
| Compound ID |
CP0847241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(R)-1-(4-tert-Butyl-phenyl)-5-oxo-pyrrolidin-2-ylmethoxymethyl]-benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27NO4
|
||||||||||||||||||
| Molecular Weight |
381.472
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2cccc(C(=O)O)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27NO4/c1-23(2,3)18-7-9-19(10-8-18)24-20(11-12-21(24)25)15-28-14-16-5-4-6-17(13-16)22(26)27/h4-10,13,20H,11-12,14-15H2,1-3H3,(H,26,27)/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LCSGMLDYUJOVFW-HXUWFJFHSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype