General Information of the Compound
Compound ID
CP0423707
Compound Name
2-[2-[4-(1-pyridin-2-yl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydroimidazol-1-yl]pyridine
    Show/Hide
Structure
Formula
C22H20N6
Molecular Weight
368.444
Canonical SMILES
C1CN(C(=N1)c1ccc(cc1)C1=NCCN1c1ccccn1)c1ccccn1
    Show/Hide
InChI
InChI=1S/C22H20N6/c1-3-11-23-19(5-1)27-15-13-25-21(27)17-7-9-18(10-8-17)22-26-14-16-28(22)20-6-2-4-12-24-20/h1-12H,13-16H2
    Show/Hide
InChIKey
SGYSXKBMLKPJEL-UHFFFAOYSA-N
Physicochemical Property
logP
3.0102
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
56.98
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 155537860
ChEMBL ID
CHEMBL4475606
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: PT01174, Polymerase acidic protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 35000 nM
   TI
   LI
   LO
   TS