General Information of the Compound
Compound ID
CP0846164
Compound Name
N-(3-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl)benzenesulfonamide
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Structure
Formula
C19H15N3O4S
Molecular Weight
381.413
Canonical SMILES
O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4ccccc4)c3)c2[nH]1
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InChI
InChI=1S/C19H15N3O4S/c23-19-20-16-10-5-11-17(18(16)21-19)26-14-7-4-6-13(12-14)22-27(24,25)15-8-2-1-3-9-15/h1-12,22H,(H2,20,21,23)
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InChIKey
NMEXSFUPMAPOEA-UHFFFAOYSA-N
Physicochemical Property
logP
3.4493
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
104.05
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 46228854
ChEMBL ID
CHEMBL603161
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: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1660 nM
   TI
   LI
   LO
   TS
CL000252 WM266-4 Homo sapiens (Human)  1
1
IC50 = 29600 nM
   TI
   LI
   LO
   TS