General Information of the Compound
Compound ID
CP0958790
Compound Name
2-(4-chlorophenyl)-3-(morpholinomethyl)imidazo[1,2-a]pyridine-6-carbonitrile
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Structure
Formula
C19H17ClN4O
Molecular Weight
352.825
Canonical SMILES
N#Cc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
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InChI
InChI=1S/C19H17ClN4O/c20-16-4-2-15(3-5-16)19-17(13-23-7-9-25-10-8-23)24-12-14(11-21)1-6-18(24)22-19/h1-6,12H,7-10,13H2
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InChIKey
VMHITJUJHPZAMY-UHFFFAOYSA-N
Physicochemical Property
logP
3.35858
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
53.56
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 121309723
ChEMBL ID
CHEMBL4280138
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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   LI
   LO
   TS