General Information of the Compound
Compound ID
CP0548026
Compound Name
3-[5-cyano-4-(2-methoxyethoxy)pyridin-2-yl]-1-(2-cyanopyrimidin-4-yl)-1-methylurea
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Formula
C16H15N7O3
Molecular Weight
353.342
Canonical SMILES
COCCOc1cc(NC(=O)N(C)c2ccnc(n2)C#N)ncc1C#N
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InChI
InChI=1S/C16H15N7O3/c1-23(15-3-4-19-14(9-18)21-15)16(24)22-13-7-12(26-6-5-25-2)11(8-17)10-20-13/h3-4,7,10H,5-6H2,1-2H3,(H,20,22,24)
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InChIKey
IYVSSQRZIKZEKQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.30846
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
137.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
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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ChEMBL ID
CHEMBL4750281
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: 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 = 1180 nM
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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 = 8700 nM
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   LI
   LO
   TS