General Information of the Compound
Compound ID
CP0539082
Compound Name
N-benzyl-6-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine
    Show/Hide
Structure
Formula
C21H19N3
Molecular Weight
313.404
Canonical SMILES
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C21H19N3/c1-16-12-13-19-23-20(18-10-6-3-7-11-18)21(24(19)15-16)22-14-17-8-4-2-5-9-17/h2-13,15,22H,14H2,1H3
    Show/Hide
InChIKey
PPKPREDMOKCYLO-UHFFFAOYSA-N
Physicochemical Property
logP
4.92182
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
29.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 45600231
ChEMBL ID
CHEMBL4066275
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: PT01286, Bile acid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 280 nM
   TI
   LI
   LO
   TS