General Information of the Compound
| Compound ID |
CP0899507
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-((1S,2S,3R,5R)-5-cyano-3-hydroxy-2-(4-(1-hydroxyhexyl)phenyl)cyclopentyl)hept-5-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H35NO4
|
||||||||||||||||||
| Molecular Weight |
413.558
|
||||||||||||||||||
| Canonical SMILES |
CCCCCC(O)c1ccc([C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@H](C#N)C[C@H]2O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35NO4/c1-2-3-6-10-22(27)18-12-14-19(15-13-18)25-21(20(17-26)16-23(25)28)9-7-4-5-8-11-24(29)30/h4,7,12-15,20-23,25,27-28H,2-3,5-6,8-11,16H2,1H3,(H,29,30)/b7-4-/t20-,21-,22?,23+,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMZNXASVJYOPFE-USWYDFPMSA-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: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype