General Information of the Compound
Compound ID
CP0416443
Compound Name
N-(2,4-dimethyl-5-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
    Show/Hide
Structure
Formula
C26H23N3O2
Molecular Weight
409.489
Canonical SMILES
Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccccn1
    Show/Hide
InChI
InChI=1S/C26H23N3O2/c1-18-15-19(2)25(16-23(18)24-8-4-6-14-28-24)29-26(30)20-9-11-22(12-10-20)31-17-21-7-3-5-13-27-21/h3-16H,17H2,1-2H3,(H,29,30)
    Show/Hide
InChIKey
LMWKVXVABNCJLY-UHFFFAOYSA-N
Physicochemical Property
logP
5.59174
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
64.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 156019072
ChEMBL ID
CHEMBL4644674
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: PT02397, Protein smoothened
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000387 C3H/10T1/2 clone 8 Mus musculus (Mouse)  1
1
EC50 = 0.8 nM
   TI
   LI
   LO
   TS