General Information of the Compound
Compound ID
CP0442358
Compound Name
7-(2-(3-hydroxy-5-phenylpentyl)-5-oxopyrrolidin-1-yl)heptanoic acid
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Structure
Formula
C22H33NO4
Molecular Weight
375.509
Canonical SMILES
OC(CCC1CCC(=O)N1CCCCCCC(O)=O)CCc1ccccc1
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InChI
InChI=1S/C22H33NO4/c24-20(14-11-18-8-4-3-5-9-18)15-12-19-13-16-21(25)23(19)17-7-2-1-6-10-22(26)27/h3-5,8-9,19-20,24H,1-2,6-7,10-17H2,(H,26,27)
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InChIKey
ZGLFHZRPCUXQIP-UHFFFAOYSA-N
Physicochemical Property
logP
3.7864
Rotatable Bonds
13
Heavy Atom Count
27
Polar Areas
77.84
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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).

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PubChem ID
CID: 44409892
ChEMBL ID
CHEMBL208407
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: PT05828, Prostaglandin E2 receptor EP2 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 3200 nM
   TI
   LI
   LO
   TS
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 3200 nM
   TI
   LI
   LO
   TS