General Information of the Compound
Compound ID
CP0470258
Compound Name
US9266883, 68
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Structure
Formula
C20H20N6O3
Molecular Weight
392.419
Canonical SMILES
CN(Cc1cc2CCCN(C(=O)Nc3ccc(cn3)C#N)c2nc1C=O)C(C)=O
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InChI
InChI=1S/C20H20N6O3/c1-13(28)25(2)11-16-8-15-4-3-7-26(19(15)23-17(16)12-27)20(29)24-18-6-5-14(9-21)10-22-18/h5-6,8,10,12H,3-4,7,11H2,1-2H3,(H,22,24,29)
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InChIKey
WWXYIWRCALKTTD-UHFFFAOYSA-N
Physicochemical Property
logP
2.12378
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
119.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 118036488
ChEMBL ID
CHEMBL3920470
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 = 35 nM
   TI
   LI
   LO
   TS
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 = 55 nM
   TI
   LI
   LO
   TS
2
IC50 = 102 nM
   TI
   LI
   LO
   TS