General Information of the Compound
| Compound ID |
CP0866395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-((1R,2S,3R)-3-hydroxy-5-oxo-2-p-tolylcyclopentyl)heptanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H26O4
|
||||||||||||||||||
| Molecular Weight |
318.413
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H26O4/c1-13-8-10-14(11-9-13)19-15(16(20)12-17(19)21)6-4-2-3-5-7-18(22)23/h8-11,15,17,19,21H,2-7,12H2,1H3,(H,22,23)/t15-,17+,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGUNXCGYTAJBBB-KVSKMBFKSA-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: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01819, Thromboxane A2 receptor