General Information of the Compound
Compound ID
CP0149823
Compound Name
2-[3-(3-methoxyphenyl)phenyl]-5-methyl-2-pyridin-4-ylimidazol-4-amine
    Show/Hide
Structure
Formula
C22H20N4O
Molecular Weight
356.429
Canonical SMILES
COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)c1ccncc1
    Show/Hide
InChI
InChI=1S/C22H20N4O/c1-15-21(23)26-22(25-15,18-9-11-24-12-10-18)19-7-3-5-16(13-19)17-6-4-8-20(14-17)27-2/h3-14H,1-2H3,(H2,23,26)
    Show/Hide
InChIKey
JGYNJPZQUBJSBG-UHFFFAOYSA-N
Physicochemical Property
logP
3.79
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
72.86
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 49858375
SID: 104231600
ChEMBL ID
CHEMBL2180023
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: PT01020, Beta-secretase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 2800 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 170 nM