General Information of the Compound
Compound ID
CP0899455
Compound Name
1-(4-((2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)-2-(4-fluorophenyl)ethanone
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Structure
Formula
C32H28ClFN4O
Molecular Weight
539.054
Canonical SMILES
O=C(Cc1ccc(F)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
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InChI
InChI=1S/C32H28ClFN4O/c33-27-11-8-25(9-12-27)32-29(38-21-26(10-15-30(38)35-32)24-4-2-1-3-5-24)22-36-16-18-37(19-17-36)31(39)20-23-6-13-28(34)14-7-23/h1-15,21H,16-20,22H2
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InChIKey
WOYIHYWUPCJNBF-UHFFFAOYSA-N
Physicochemical Property
logP
6.3477
Rotatable Bonds
6
Heavy Atom Count
39
Polar Areas
40.85
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 51066874
ChEMBL ID
CHEMBL4286875
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 = 10000 nM
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