General Information of the Compound
Compound ID
CP0414036
Compound Name
2-propan-2-yl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
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Structure
Formula
C20H28N4O
Molecular Weight
340.471
Canonical SMILES
CC(C)N1CC2C(CNC(=O)c3cccn4cc(nc34)C(C)C)C2C1
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InChI
InChI=1S/C20H28N4O/c1-12(2)18-11-23-7-5-6-14(19(23)22-18)20(25)21-8-15-16-9-24(13(3)4)10-17(15)16/h5-7,11-13,15-17H,8-10H2,1-4H3,(H,21,25)
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InChIKey
OFGGGRQZSDQDFW-UHFFFAOYSA-N
Physicochemical Property
logP
2.7737
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
49.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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).

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PubChem ID
CID: 145975076
ChEMBL ID
CHEMBL4203778
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 = 34.2 nM
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