General Information of the Compound
Compound ID
CP0905115
Compound Name
1-(4-((2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)ethanone
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Structure
Formula
C23H25ClN4O
Molecular Weight
408.933
Canonical SMILES
CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1
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InChI
InChI=1S/C23H25ClN4O/c1-16(29)27-12-10-26(11-13-27)15-21-23(18-4-7-20(24)8-5-18)25-22-9-6-19(14-28(21)22)17-2-3-17/h4-9,14,17H,2-3,10-13,15H2,1H3
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InChIKey
MSESEOMSZAWXAD-UHFFFAOYSA-N
Physicochemical Property
logP
4.1962
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
40.85
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 121309741
ChEMBL ID
CHEMBL4288901
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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