General Information of the Compound
Compound ID
CP0911784
Compound Name
2-(4-chlorophenyl)-6-cyclopropyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrazine
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Structure
Formula
C20H22ClN5
Molecular Weight
367.884
Canonical SMILES
Clc1ccc(-c2nc3cnc(C4CC4)cn3c2CN2CCNCC2)cc1
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InChI
InChI=1S/C20H22ClN5/c21-16-5-3-15(4-6-16)20-18(13-25-9-7-22-8-10-25)26-12-17(14-1-2-14)23-11-19(26)24-20/h3-6,11-12,14,22H,1-2,7-10,13H2
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InChIKey
LFEFWBNPLNQCGI-UHFFFAOYSA-N
Physicochemical Property
logP
3.3323
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
45.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 121309894
ChEMBL ID
CHEMBL4293965
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
   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 > 100000 nM
   TI
   LI
   LO
   TS