General Information of the Compound
Compound ID
CP0860775
Compound Name
4-((6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl)methyl)piperazin-2-one
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Structure
Formula
C20H19Cl2N5O
Molecular Weight
416.312
Canonical SMILES
O=C1CN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CCN1
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InChI
InChI=1S/C20H19Cl2N5O/c21-13-3-4-14(15(22)7-13)20-17(10-26-6-5-23-19(28)11-26)27-9-16(12-1-2-12)24-8-18(27)25-20/h3-4,7-9,12H,1-2,5-6,10-11H2,(H,23,28)
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InChIKey
NIERBMRJTAWKCF-UHFFFAOYSA-N
Physicochemical Property
logP
3.5123
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
62.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 121309818
ChEMBL ID
CHEMBL4287800
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