General Information of the Compound
Compound ID
CP0855307
Compound Name
4-((2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-2-one
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Structure
Formula
C24H21ClN4O
Molecular Weight
416.912
Canonical SMILES
O=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CCN1
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InChI
InChI=1S/C24H21ClN4O/c25-20-9-6-18(7-10-20)24-21(15-28-13-12-26-23(30)16-28)29-14-19(8-11-22(29)27-24)17-4-2-1-3-5-17/h1-11,14H,12-13,15-16H2,(H,26,30)
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InChIKey
MUDOQBNBPUOSLT-UHFFFAOYSA-N
Physicochemical Property
logP
4.2535
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
49.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 68387185
ChEMBL ID
CHEMBL4293301
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 = 10000 nM
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