General Information of the Compound
Compound ID
CP0883729
Compound Name
cyclopentyl(4-((2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)methanone
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Structure
Formula
C30H31N5O3
Molecular Weight
509.61
Canonical SMILES
O=C(C1CCCC1)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4ccccc4)cn23)CC1
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InChI
InChI=1S/C30H31N5O3/c36-30(23-9-4-5-10-23)33-17-15-32(16-18-33)21-27-29(24-11-6-12-26(19-24)35(37)38)31-28-14-13-25(20-34(27)28)22-7-2-1-3-8-22/h1-3,6-8,11-14,19-20,23H,4-5,9-10,15-18,21H2
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InChIKey
BAWVWCNAWNPFIR-UHFFFAOYSA-N
Physicochemical Property
logP
5.4109
Rotatable Bonds
6
Heavy Atom Count
38
Polar Areas
83.99
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
38

"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: 45970459
ChEMBL ID
CHEMBL4277542
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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