General Information of the Compound
Compound ID
CP0431431
Compound Name
1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
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Structure
Formula
C23H16FN5O3
Molecular Weight
429.411
Canonical SMILES
Fc1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)c1
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InChI
InChI=1S/C23H16FN5O3/c24-13-4-3-5-14(12-13)26-22(30)27-17-8-9-18(16-7-2-1-6-15(16)17)32-19-10-11-25-21-20(19)28-23(31)29-21/h1-12H,(H2,26,27,30)(H2,25,28,29,31)
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InChIKey
MQOLDYZYFOPBCY-UHFFFAOYSA-N
Physicochemical Property
logP
4.9798
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
111.9
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 44185068
SID: 85180386
ChEMBL ID
CHEMBL526838
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 = 214 nM
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