General Information of the Compound
Compound ID
CP0887574
Compound Name
6-cyclopropyl-2-(2,4-dichlorophenyl)-3-((4-(methylsulfonyl)piperazin-1-yl)methyl)imidazo[1,2-a]pyrazine
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Structure
Formula
C21H23Cl2N5O2S
Molecular Weight
480.421
Canonical SMILES
CS(=O)(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1
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InChI
InChI=1S/C21H23Cl2N5O2S/c1-31(29,30)27-8-6-26(7-9-27)13-19-21(16-5-4-15(22)10-17(16)23)25-20-11-24-18(12-28(19)20)14-2-3-14/h4-5,10-12,14H,2-3,6-9,13H2,1H3
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InChIKey
UWJNOKLLMKKXCR-UHFFFAOYSA-N
Physicochemical Property
logP
3.6577
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
70.81
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: 121309875
ChEMBL ID
CHEMBL4294512
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