General Information of the Compound
| Compound ID |
CP0425924
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-{(1R,2R,3R,5S)-2-[(R)-5-(3-Cyano-phenyl)-3-hydroxy-pentyl]-3,5-dihydroxy-cyclopentyl}-heptanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H35NO5
|
||||||||||||||||||
| Molecular Weight |
417.546
|
||||||||||||||||||
| Canonical SMILES |
O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CCc1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H35NO5/c25-16-18-7-5-6-17(14-18)10-11-19(26)12-13-21-20(22(27)15-23(21)28)8-3-1-2-4-9-24(29)30/h5-7,14,19-23,26-28H,1-4,8-13,15H2,(H,29,30)/t19-,20+,21+,22-,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGPMAEAKYUTWSY-BVAFDOMYSA-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: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01823, Prostaglandin F2-alpha receptor
Protein ID: PT01819, Thromboxane A2 receptor