General Information of the Compound
Compound ID
CP0380219
Compound Name
N-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
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Structure
Formula
C21H30N4O2
Molecular Weight
370.497
Canonical SMILES
CC(C)c1nc(C(=O)NC2CCN(CC2)C2CCOCC2)c2ccccn12
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InChI
InChI=1S/C21H30N4O2/c1-15(2)20-23-19(18-5-3-4-10-25(18)20)21(26)22-16-6-11-24(12-7-16)17-8-13-27-14-9-17/h3-5,10,15-17H,6-9,11-14H2,1-2H3,(H,22,26)
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InChIKey
URQWYRTVALYSKP-UHFFFAOYSA-N
Physicochemical Property
logP
2.8309
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
58.87
Hydrogen Bond Donor Count
1
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).

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PubChem ID
CID: 127042085
ChEMBL ID
CHEMBL3741322
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 = 49 nM
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