General Information of the Compound
Compound ID
CP0456330
Compound Name
(2,3-dichlorophenyl)(1-(morpholinomethyl)imidazo[1,5-a]pyridin-3-yl)methanone
    Show/Hide
Structure
Formula
C19H17Cl2N3O2
Molecular Weight
390.27
Canonical SMILES
Clc1cccc(C(=O)c2nc(CN3CCOCC3)c3ccccn23)c1Cl
    Show/Hide
InChI
InChI=1S/C19H17Cl2N3O2/c20-14-5-3-4-13(17(14)21)18(25)19-22-15(12-23-8-10-26-11-9-23)16-6-1-2-7-24(16)19/h1-7H,8-12H2
    Show/Hide
InChIKey
HDQPMGYDNBFKSZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.7043
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
46.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 46209990
SID: 96064286
ChEMBL ID
CHEMBL1760930
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: PT02190, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1068 nM
   TI
   LI
   LO
   TS
Protein ID: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2565 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5 nM
   TI
   LI
   LO
   TS
Protein ID: PT02333, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 11 nM
   TI
   LI
   LO
   TS