General Information of the Compound
Compound ID
CP0482293
Compound Name
3-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-1-(6-formylpyridin-2-yl)-1-methylurea
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Structure
Formula
C17H18N6O3
Molecular Weight
354.37
Canonical SMILES
COCCNc1cc(NC(=O)N(C)c2cccc(C=O)n2)ncc1C#N
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InChI
InChI=1S/C17H18N6O3/c1-23(16-5-3-4-13(11-24)21-16)17(25)22-15-8-14(19-6-7-26-2)12(9-18)10-20-15/h3-5,8,10-11H,6-7H2,1-2H3,(H2,19,20,22,25)
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InChIKey
LLKJNWLQWOLODU-UHFFFAOYSA-N
Physicochemical Property
logP
1.88738
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
120.24
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 122573595
ChEMBL ID
CHEMBL4287768
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: PT01343, Fibroblast growth factor receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 6.5 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 41 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6.5 nM
Protein ID: PT07029, Fibroblast growth factor receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 41 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  1
1
IC50 > 3000 nM
   TI
   LI
   LO
   TS