General Information of the Compound
Compound ID
CP0893163
Compound Name
2-(2-(4-chlorophenyl)-3-(morpholinomethyl)imidazo[1,2-a]pyridin-6-yl)-3-fluorobenzonitrile
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Structure
Formula
C25H20ClFN4O
Molecular Weight
446.913
Canonical SMILES
N#Cc1cccc(F)c1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
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InChI
InChI=1S/C25H20ClFN4O/c26-20-7-4-17(5-8-20)25-22(16-30-10-12-32-13-11-30)31-15-19(6-9-23(31)29-25)24-18(14-28)2-1-3-21(24)27/h1-9,15H,10-13,16H2
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InChIKey
SSHLNNTYSVVGFB-UHFFFAOYSA-N
Physicochemical Property
logP
5.16468
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
53.56
Hydrogen Bond Donor Count
0
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: 121309781
ChEMBL ID
CHEMBL4291715
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
Protein ID: PT06319, Solute carrier family 2, facilitated glucose transporter member 2
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