General Information of the Compound
Compound ID
CP0855306
Compound Name
(4-((2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)(4-methoxyphenyl)methanone
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Structure
Formula
C32H29ClN4O2
Molecular Weight
537.063
Canonical SMILES
COc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cc1
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InChI
InChI=1S/C32H29ClN4O2/c1-39-28-14-9-25(10-15-28)32(38)36-19-17-35(18-20-36)22-29-31(24-7-12-27(33)13-8-24)34-30-16-11-26(21-37(29)30)23-5-3-2-4-6-23/h2-16,21H,17-20,22H2,1H3
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InChIKey
KJAYIIDDERYGBC-UHFFFAOYSA-N
Physicochemical Property
logP
6.2883
Rotatable Bonds
6
Heavy Atom Count
39
Polar Areas
50.08
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
39

"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: 121309679
ChEMBL ID
CHEMBL4289128
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