General Information of the Compound
Compound ID
CP0488105
Compound Name
6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-2-ol
    Show/Hide
Structure
Formula
C28H26N4O2
Molecular Weight
450.542
Canonical SMILES
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc2cc(O)ccc2c1
    Show/Hide
InChI
InChI=1S/C28H26N4O2/c1-32(2)15-16-34-25-9-6-20(7-10-25)28-30-26(19-11-13-29-14-12-19)27(31-28)23-4-3-22-18-24(33)8-5-21(22)17-23/h3-14,17-18,33H,15-16H2,1-2H3,(H,30,31)
    Show/Hide
InChIKey
ZUIGXVNOJCSKAG-UHFFFAOYSA-N
Physicochemical Property
logP
5.6049
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
74.27
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: 136235605
ChEMBL ID
CHEMBL2336800
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: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8800 nM
   TI
   LI
   LO
   TS
CL000252 WM266-4 Homo sapiens (Human)  1
1
IC50 = 14000 nM
   TI
   LI
   LO
   TS