General Information of the Compound
Compound ID
CP0400937
Compound Name
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyridin-5-ylmethanone
    Show/Hide
Structure
Formula
C22H18F2N4O2
Molecular Weight
408.408
Canonical SMILES
FC1(F)CCN(CC1Oc1ccc2ccccc2n1)C(=O)c1cccc2nccn12
    Show/Hide
InChI
InChI=1S/C22H18F2N4O2/c23-22(24)10-12-27(21(29)17-6-3-7-19-25-11-13-28(17)19)14-18(22)30-20-9-8-15-4-1-2-5-16(15)26-20/h1-9,11,13,18H,10,12,14H2
    Show/Hide
InChIKey
IKWKSHFODDVFDP-UHFFFAOYSA-N
Physicochemical Property
logP
3.8113
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
59.73
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 118504517
ChEMBL ID
CHEMBL3902070
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: PT01132, Orexin receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 3327 nM
   TI
   LI
   LO
   TS