General Information of the Compound
Compound ID
CP0431429
Compound Name
N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
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Structure
Formula
C25H17F3N4O4
Molecular Weight
494.429
Canonical SMILES
FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)c1
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InChI
InChI=1S/C25H17F3N4O4/c26-25(27,28)36-15-5-3-4-14(12-15)13-21(33)30-18-8-9-19(17-7-2-1-6-16(17)18)35-20-10-11-29-23-22(20)31-24(34)32-23/h1-12H,13H2,(H,30,33)(H2,29,31,32,34)
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InChIKey
QGQKSPNGSXCGIN-UHFFFAOYSA-N
Physicochemical Property
logP
5.2765
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
109.1
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
36

"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: 44185900
SID: 85181303
ChEMBL ID
CHEMBL496409
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 > 100000 nM
   TI
   LI
   LO
   TS