General Information of the Compound
Compound ID
CP0540512
Compound Name
methyl 4-[4-[[(2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidin-1-yl]piperidine-1-carboxylate
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Structure
Formula
C24H35N5O3
Molecular Weight
441.576
Canonical SMILES
COC(=O)N1CCC(CC1)N1CCC(CNC(=O)c2cccn3cc(nc23)C(C)C)CC1
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InChI
InChI=1S/C24H35N5O3/c1-17(2)21-16-29-10-4-5-20(22(29)26-21)23(30)25-15-18-6-11-27(12-7-18)19-8-13-28(14-9-19)24(31)32-3/h4-5,10,16-19H,6-9,11-15H2,1-3H3,(H,25,30)
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InChIKey
FEVZVJXVARRMGR-UHFFFAOYSA-N
Physicochemical Property
logP
3.1303
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
79.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 145965914
ChEMBL ID
CHEMBL4210063
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 = 8.4 nM
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