General Information of the Compound
Compound ID
CP0845257
Compound Name
N-(3-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl)-1-naphtoylamide
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Structure
Formula
C24H17N3O3
Molecular Weight
395.418
Canonical SMILES
O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc2ccccc12
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InChI
InChI=1S/C24H17N3O3/c28-23(19-11-3-7-15-6-1-2-10-18(15)19)25-16-8-4-9-17(14-16)30-21-13-5-12-20-22(21)27-24(29)26-20/h1-14H,(H,25,28)(H2,26,27,29)
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InChIKey
GKJNNXMSCYZRFC-UHFFFAOYSA-N
Physicochemical Property
logP
5.054
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
86.98
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 46228666
ChEMBL ID
CHEMBL606404
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 = 920 nM
   TI
   LI
   LO
   TS
CL000252 WM266-4 Homo sapiens (Human)  1
1
IC50 = 29000 nM
   TI
   LI
   LO
   TS