General Information of the Compound
Compound ID
CP0855324
Compound Name
(4-((2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl)methyl)piperazin-1-yl)(pyrazin-2-yl)methanone
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Structure
Formula
C25H24ClN7O
Molecular Weight
473.968
Canonical SMILES
O=C(c1cnccn1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1
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InChI
InChI=1S/C25H24ClN7O/c26-19-5-3-18(4-6-19)24-22(33-15-21(17-1-2-17)29-14-23(33)30-24)16-31-9-11-32(12-10-31)25(34)20-13-27-7-8-28-20/h3-8,13-15,17H,1-2,9-12,16H2
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InChIKey
WVHONNNGSVFFBN-UHFFFAOYSA-N
Physicochemical Property
logP
3.6751
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
79.52
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 121309802
ChEMBL ID
CHEMBL4280304
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