General Information of the Compound
Compound ID
CP0448072
Compound Name
(2S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(phenoxymethyl)morpholine
    Show/Hide
Structure
Formula
C19H21N3O2
Molecular Weight
323.396
Canonical SMILES
C(Oc1ccccc1)[C@@H]1CN(Cc2cn3ccccc3n2)CCO1
    Show/Hide
InChI
InChI=1S/C19H21N3O2/c1-2-6-17(7-3-1)24-15-18-14-21(10-11-23-18)12-16-13-22-9-5-4-8-19(22)20-16/h1-9,13,18H,10-12,14-15H2/t18-/m0/s1
    Show/Hide
InChIKey
VFRYJHHXNGOGDM-SFHVURJKSA-N
Physicochemical Property
logP
2.6141
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
39
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 127032082
ChEMBL ID
CHEMBL3792541
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: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 590 nM
   TI
   LI
   LO
   TS
2
Ki = 160 nM
   TI
   LI
   LO
   TS