General Information of the Compound
Compound ID
CP0385051
Compound Name
N-[3-(oxan-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
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Structure
Formula
C22H30N4O2
Molecular Weight
382.508
Canonical SMILES
CC(C)c1nc(C(=O)NC2C3CN(CC4CCOCC4)CC23)c2ccccn12
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InChI
InChI=1S/C22H30N4O2/c1-14(2)21-23-20(18-5-3-4-8-26(18)21)22(27)24-19-16-12-25(13-17(16)19)11-15-6-9-28-10-7-15/h3-5,8,14-17,19H,6-7,9-13H2,1-2H3,(H,24,27)
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InChIKey
IZYUXJNZOBEOMC-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).

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PubChem ID
CID: 127037817
ChEMBL ID
CHEMBL3739689
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 = 1061 nM
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