General Information of the Compound
Compound ID
CP0891109
Compound Name
1-(4-((2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)-2-hydroxy-2-methylpropan-1-one
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Structure
Formula
C28H29ClN4O2
Molecular Weight
489.019
Canonical SMILES
CC(C)(O)C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
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InChI
InChI=1S/C28H29ClN4O2/c1-28(2,35)27(34)32-16-14-31(15-17-32)19-24-26(21-8-11-23(29)12-9-21)30-25-13-10-22(18-33(24)25)20-6-4-3-5-7-20/h3-13,18,35H,14-17,19H2,1-2H3
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InChIKey
FMZBTTMJMADFRB-UHFFFAOYSA-N
Physicochemical Property
logP
4.7368
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
61.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
35

"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: 121309851
ChEMBL ID
CHEMBL4282303
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