General Information of the Compound
Compound ID
CP0853908
Compound Name
2-((2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl)methyl)hexahydropyrrolo[1,2-a]pyrazin-6(7H)-one
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Structure
Formula
C23H24ClN5O
Molecular Weight
421.932
Canonical SMILES
O=C1CCC2CN(Cc3c(-c4ccc(Cl)cc4)nc4cnc(C5CC5)cn34)CCN12
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InChI
InChI=1S/C23H24ClN5O/c24-17-5-3-16(4-6-17)23-20(14-27-9-10-28-18(12-27)7-8-22(28)30)29-13-19(15-1-2-15)25-11-21(29)26-23/h3-6,11,13,15,18H,1-2,7-10,12,14H2
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InChIKey
BZYOEBWCELTDFC-UHFFFAOYSA-N
Physicochemical Property
logP
3.7337
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
53.74
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 121309928
ChEMBL ID
CHEMBL4289956
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
Protein ID: PT06387, Solute carrier family 2, facilitated glucose transporter member 3
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: PT03440, Solute carrier family 2, facilitated glucose transporter member 4
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