General Information of the Compound
Compound ID
CP0891107
Compound Name
2-(2-(4-chlorophenyl)-3-(morpholinomethyl)imidazo[1,2-a]pyrazin-6-yl)benzonitrile
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Structure
Formula
C24H20ClN5O
Molecular Weight
429.911
Canonical SMILES
N#Cc1ccccc1-c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2cn1
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InChI
InChI=1S/C24H20ClN5O/c25-19-7-5-17(6-8-19)24-22(16-29-9-11-31-12-10-29)30-15-21(27-14-23(30)28-24)20-4-2-1-3-18(20)13-26/h1-8,14-15H,9-12,16H2
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InChIKey
ZNBONFXPKUMDEZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.42058
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
66.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 121309814
ChEMBL ID
CHEMBL4289272
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 = 10000 nM
   TI
   LI
   LO
   TS