General Information of the Compound
Compound ID
CP0462168
Compound Name
N-[[3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
    Show/Hide
Structure
Formula
C22H30N4O2
Molecular Weight
382.508
Canonical SMILES
CC(C)c1nc(C(=O)NCC2C3CN(CC23)C2CCOCC2)n2ccccc12
    Show/Hide
InChI
InChI=1S/C22H30N4O2/c1-14(2)20-19-5-3-4-8-26(19)21(24-20)22(27)23-11-16-17-12-25(13-18(16)17)15-6-9-28-10-7-15/h3-5,8,14-18H,6-7,9-13H2,1-2H3,(H,23,27)
    Show/Hide
InChIKey
HPHCILUBWLALNJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.5443
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
58.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 145966407
ChEMBL ID
CHEMBL4210983
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 = 10.4 nM
   TI
   LI
   LO
   TS