General Information of the Compound
| Compound ID |
CP0895714
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(4-(1-hydroxy-2-methylpropan-2-yl)phenyl)cyclopentyl)heptanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H33ClO4
|
||||||||||||||||||
| Molecular Weight |
396.955
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(CO)c1ccc([C@@H]2[C@@H](CCCCCCC(=O)O)[C@H](Cl)C[C@H]2O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H33ClO4/c1-22(2,14-24)16-11-9-15(10-12-16)21-17(18(23)13-19(21)25)7-5-3-4-6-8-20(26)27/h9-12,17-19,21,24-25H,3-8,13-14H2,1-2H3,(H,26,27)/t17-,18+,19+,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IQEMGHAXYOTQHG-QEUVDIPISA-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