General Information of the Compound
Compound ID
CP0921737
Compound Name
methyl 7-((5S)-5-(4-(1-hydroxyhexyl)phenyl)cyclopent-1-enyl)heptanoate
    Show/Hide
Structure
Formula
C25H38O3
Molecular Weight
386.576
Canonical SMILES
CCCCCC(O)c1ccc([C@H]2CCC=C2CCCCCCC(=O)OC)cc1
    Show/Hide
InChI
InChI=1S/C25H38O3/c1-3-4-7-14-24(26)22-18-16-21(17-19-22)23-13-10-12-20(23)11-8-5-6-9-15-25(27)28-2/h12,16-19,23-24,26H,3-11,13-15H2,1-2H3/t23-,24?/m0/s1
    Show/Hide
InChIKey
YSEZRHJTBQVFOZ-UXMRNZNESA-N
Physicochemical Property
logP
6.6177
Rotatable Bonds
13
Heavy Atom Count
28
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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
CID: 59465592
ChEMBL ID
CHEMBL3947785
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 50000 nM
   TI
   LI
   LO
   TS
2
Ki = 50000 nM
   TI
   LI
   LO
   TS