General Information of the Compound
Compound ID
CP0431428
Compound Name
1-(3,4-difluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
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Structure
Formula
C23H15F2N5O3
Molecular Weight
447.401
Canonical SMILES
Fc1ccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)cc1F
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InChI
InChI=1S/C23H15F2N5O3/c24-15-6-5-12(11-16(15)25)27-22(31)28-17-7-8-18(14-4-2-1-3-13(14)17)33-19-9-10-26-21-20(19)29-23(32)30-21/h1-11H,(H2,27,28,31)(H2,26,29,30,32)
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InChIKey
DMGJFEIYBSAQDS-UHFFFAOYSA-N
Physicochemical Property
logP
5.1189
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
111.9
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 44185069
SID: 85180387
ChEMBL ID
CHEMBL498113
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
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