General Information of the Compound
Compound ID
CP0887309
Compound Name
N-(3-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl)naphthalene-1-sulfonamide
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Structure
Formula
C23H17N3O4S
Molecular Weight
431.473
Canonical SMILES
O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cccc5ccccc45)c3)c2[nH]1
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InChI
InChI=1S/C23H17N3O4S/c27-23-24-19-11-5-12-20(22(19)25-23)30-17-9-4-8-16(14-17)26-31(28,29)21-13-3-7-15-6-1-2-10-18(15)21/h1-14,26H,(H2,24,25,27)
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InChIKey
HOWWYOGTDZIOQM-UHFFFAOYSA-N
Physicochemical Property
logP
4.6025
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
104.05
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 46228511
ChEMBL ID
CHEMBL599852
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
CL000252 WM266-4 Homo sapiens (Human)  1
1
IC50 = 21300 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 25000 nM
   TI
   LI
   LO
   TS