General Information of the Compound
Compound ID
CP0864843
Compound Name
1-(4-((2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)-2-methoxyethanone
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Structure
Formula
C27H25ClF2N4O2
Molecular Weight
510.972
Canonical SMILES
COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4c(F)cccc4F)cn23)CC1
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InChI
InChI=1S/C27H25ClF2N4O2/c1-36-17-25(35)33-13-11-32(12-14-33)16-23-27(18-5-8-20(28)9-6-18)31-24-10-7-19(15-34(23)24)26-21(29)3-2-4-22(26)30/h2-10,15H,11-14,16-17H2,1H3
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InChIKey
IHZOFYSJKKBZIJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.8905
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
50.08
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
36

"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: 121309769
ChEMBL ID
CHEMBL4288062
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 <= 1000 nM
   TI
   LI
   LO
   TS