General Information of the Compound
Compound ID
CP0549075
Compound Name
N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
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Structure
Formula
C23H34N4O3
Molecular Weight
414.55
Canonical SMILES
CC(C)c1cn2cccc(C(=O)NCC3CCN(CC4(O)CCOCC4)CC3)c2n1
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InChI
InChI=1S/C23H34N4O3/c1-17(2)20-15-27-9-3-4-19(21(27)25-20)22(28)24-14-18-5-10-26(11-6-18)16-23(29)7-12-30-13-8-23/h3-4,9,15,17-18,29H,5-8,10-14,16H2,1-2H3,(H,24,28)
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InChIKey
FQXMKRKLRPHQMF-UHFFFAOYSA-N
Physicochemical Property
logP
2.441
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
79.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 145965246
ChEMBL ID
CHEMBL4211044
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 = 0.4 nM
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