General Information of the Compound
Compound ID
CP0414038
Compound Name
N-[[3-(2-hydroxy-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
    Show/Hide
Structure
Formula
C21H30N4O2
Molecular Weight
370.497
Canonical SMILES
CC(C)c1cn2cccc(C(=O)NCC3C4CN(CC(C)(C)O)CC34)c2n1
    Show/Hide
InChI
InChI=1S/C21H30N4O2/c1-13(2)18-11-25-7-5-6-14(19(25)23-18)20(26)22-8-15-16-9-24(10-17(15)16)12-21(3,4)27/h5-7,11,13,15-17,27H,8-10,12H2,1-4H3,(H,22,26)
    Show/Hide
InChIKey
CPIDTJZSHBCIDB-UHFFFAOYSA-N
Physicochemical Property
logP
2.1362
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
69.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 145964870
ChEMBL ID
CHEMBL4213441
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 = 17 nM
   TI
   LI
   LO
   TS