General Information of the Compound
Compound ID
CP0860759
Compound Name
4-(2-(4-chlorophenyl)-3-(morpholinomethyl)imidazo[1,2-a]pyridin-6-yl)benzamide
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Structure
Formula
C25H23ClN4O2
Molecular Weight
446.938
Canonical SMILES
NC(=O)c1ccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCOCC4)n3c2)cc1
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InChI
InChI=1S/C25H23ClN4O2/c26-21-8-5-18(6-9-21)24-22(16-29-11-13-32-14-12-29)30-15-20(7-10-23(30)28-24)17-1-3-19(4-2-17)25(27)31/h1-10,15H,11-14,16H2,(H2,27,31)
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InChIKey
MKYBQDGKGALSLD-UHFFFAOYSA-N
Physicochemical Property
logP
4.2528
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
72.86
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 121309650
ChEMBL ID
CHEMBL4282894
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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