General Information of the Compound
Compound ID
CP0538685
Compound Name
N-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
    Show/Hide
Structure
Formula
C24H36N4O2
Molecular Weight
412.578
Canonical SMILES
CC(C)c1cn2cccc(C(=O)NCC3CCN(CC4(O)CCCCC4)CC3)c2n1
    Show/Hide
InChI
InChI=1S/C24H36N4O2/c1-18(2)21-16-28-12-6-7-20(22(28)26-21)23(29)25-15-19-8-13-27(14-9-19)17-24(30)10-4-3-5-11-24/h6-7,12,16,18-19,30H,3-5,8-11,13-15,17H2,1-2H3,(H,25,29)
    Show/Hide
InChIKey
BJXMSENPVFIAQH-UHFFFAOYSA-N
Physicochemical Property
logP
3.5947
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
69.87
Hydrogen Bond Donor Count
2
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: 145973097
ChEMBL ID
CHEMBL4217381
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: PT01307, 5-hydroxytryptamine receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.3 nM
   TI
   LI
   LO
   TS