General Information of the Compound
| Compound ID |
CP0445340
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiophen-2-ylsulfanyl)-butyl]-cyclopentyl}-heptanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H32O5S2
|
||||||||||||||||||
| Molecular Weight |
416.605
|
||||||||||||||||||
| Canonical SMILES |
OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H32O5S2/c21-14(13-27-20-8-5-11-26-20)9-10-16-15(17(22)12-18(16)23)6-3-1-2-4-7-19(24)25/h5,8,11,14-18,21-23H,1-4,6-7,9-10,12-13H2,(H,24,25)/t14?,15-,16-,17+,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KVSLCHMLOXAYQJ-JRACIQGZSA-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: PT02279, Prostacyclin receptor
Protein ID: PT01054, Prostaglandin D2 receptor
Protein ID: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT01823, Prostaglandin F2-alpha receptor
Protein ID: PT01819, Thromboxane A2 receptor