General Information of the Compound
Compound ID
CP0457350
Compound Name
3-[[4-[1-[5-(4-ethylphenyl)pyrimidin-2-yl]oxypentyl]benzoyl]amino]propanoic acid
    Show/Hide
Structure
Formula
C27H31N3O4
Molecular Weight
461.562
Canonical SMILES
CCCCC(Oc1ncc(cn1)-c1ccc(CC)cc1)c1ccc(cc1)C(=O)NCCC(O)=O
    Show/Hide
InChI
InChI=1S/C27H31N3O4/c1-3-5-6-24(21-11-13-22(14-12-21)26(33)28-16-15-25(31)32)34-27-29-17-23(18-30-27)20-9-7-19(4-2)8-10-20/h7-14,17-18,24H,3-6,15-16H2,1-2H3,(H,28,33)(H,31,32)
    Show/Hide
InChIKey
SDBJCCRJJRQLME-UHFFFAOYSA-N
Physicochemical Property
logP
5.2208
Rotatable Bonds
12
Heavy Atom Count
34
Polar Areas
101.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 145986774
ChEMBL ID
CHEMBL4288863
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: PT01473, Glucagon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 17700 nM
   TI
   LI
   LO
   TS