General Information of the Compound
Compound ID
CP0864845
Compound Name
1-(4-((6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)ethanone
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Structure
Formula
C20H22ClN5O
Molecular Weight
383.883
Canonical SMILES
CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(N)cn23)CC1
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InChI
InChI=1S/C20H22ClN5O/c1-14(27)25-10-8-24(9-11-25)13-18-20(15-2-4-16(21)5-3-15)23-19-7-6-17(22)12-26(18)19/h2-7,12H,8-11,13,22H2,1H3
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InChIKey
QSOJPLDJPLQIPM-UHFFFAOYSA-N
Physicochemical Property
logP
2.901
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
66.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 121309821
ChEMBL ID
CHEMBL4289466
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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