General Information of the Compound
Compound ID
CP0905432
Compound Name
2-(4-chlorophenyl)-N-ethyl-3-(morpholinomethyl)imidazo[1,2-a]pyridine-5-carboxamide
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Structure
Formula
C21H23ClN4O2
Molecular Weight
398.894
Canonical SMILES
CCNC(=O)c1cccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n12
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InChI
InChI=1S/C21H23ClN4O2/c1-2-23-21(27)17-4-3-5-19-24-20(15-6-8-16(22)9-7-15)18(26(17)19)14-25-10-12-28-13-11-25/h3-9H,2,10-14H2,1H3,(H,23,27)
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InChIKey
BDAPMDVLAVZJOC-UHFFFAOYSA-N
Physicochemical Property
logP
3.2366
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: 121309673
ChEMBL ID
CHEMBL4280984
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: PT04657, Solute carrier family 2, facilitated glucose transporter member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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