General Information of the Compound
Compound ID
CP0347224
Compound Name
2-(4-Bromo-phenyl)-6-methyl-imidazo[1,2-a]pyridine
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Structure
Formula
C14H11BrN2
Molecular Weight
287.16
Canonical SMILES
Cc1ccc2nc(cn2c1)-c1ccc(Br)cc1
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InChI
InChI=1S/C14H11BrN2/c1-10-2-7-14-16-13(9-17(14)8-10)11-3-5-12(15)6-4-11/h2-9H,1H3
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InChIKey
OUTIKDPVXLJCLK-UHFFFAOYSA-N
Physicochemical Property
logP
4.07222
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
17.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 837893
SID: 15518192
ChEMBL ID
CHEMBL78765
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: PT06124, Paired box protein Pax-8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I Homo sapiens (Human)  1
1
AC50 = 11200 nM
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