General Information of the Compound
Compound ID
CP0069664
Compound Name
US9266883, 8
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Structure
Formula
C15H12N6O2
Molecular Weight
308.301
Canonical SMILES
O=Cc1ccc2CCCN(C(=O)Nc3ncc(cn3)C#N)c2n1
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InChI
InChI=1S/C15H12N6O2/c16-6-10-7-17-14(18-8-10)20-15(23)21-5-1-2-11-3-4-12(9-22)19-13(11)21/h3-4,7-9H,1-2,5H2,(H,17,18,20,23)
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InChIKey
ILTDXKXOGRYYPI-UHFFFAOYSA-N
Physicochemical Property
logP
1.54048
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
111.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 118036466
ChEMBL ID
CHEMBL3977760
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 = 45 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 131 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 45 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)  2
1
IC50 = 131 nM
   TI
   LI
   LO
   TS
2
IC50 = 301 nM
   TI
   LI
   LO
   TS