General Information of the Compound
Compound ID
CP0387357
Compound Name
US9266883, 14
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Structure
Formula
C15H11F3N4O3
Molecular Weight
352.272
Canonical SMILES
FC(F)(F)c1ccc(NC(=O)N2CCOc3ccc(C=O)nc23)nc1
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InChI
InChI=1S/C15H11F3N4O3/c16-15(17,18)9-1-4-12(19-7-9)21-14(24)22-5-6-25-11-3-2-10(8-23)20-13(11)22/h1-4,7-8H,5-6H2,(H,19,21,24)
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InChIKey
BUKOOYOYANHUBB-UHFFFAOYSA-N
Physicochemical Property
logP
2.7388
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
84.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 118036727
ChEMBL ID
CHEMBL3982548
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)  2
1
IC50 = 42 nM
   TI
   LI
   LO
   TS
2
Kd = 35 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 531 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 42 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 = 531 nM
   TI
   LI
   LO
   TS