General Information of the Compound
Compound ID
CP0191856
Compound Name
3-(2-chlorobenzyloxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
    Show/Hide
Structure
Formula
C19H14ClN3O2S
Molecular Weight
383.86
Canonical SMILES
NC(=O)c1sc(cc1OCc1ccccc1Cl)-c1cnc2ccccn12
    Show/Hide
InChI
InChI=1S/C19H14ClN3O2S/c20-13-6-2-1-5-12(13)11-25-15-9-16(26-18(15)19(21)24)14-10-22-17-7-3-4-8-23(14)17/h1-10H,11H2,(H2,21,24)
    Show/Hide
InChIKey
CXKUHYCMRFFSSE-UHFFFAOYSA-N
Physicochemical Property
logP
4.3941
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
69.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 45273808
ChEMBL ID
CHEMBL562764
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: PT01252, Serine/threonine-protein kinase PLK1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000162 HeLa S3 Homo sapiens (Human)  1
1
EC50 = 1150 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 35 nM