General Information of the Compound
Compound ID
CP0557361
Compound Name
US9266883, 42
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Structure
Formula
C19H20N6O2
Molecular Weight
364.409
Canonical SMILES
CN(C)Cc1cc2CCCN(C(=O)Nc3ccc(cn3)C#N)c2nc1C=O
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InChI
InChI=1S/C19H20N6O2/c1-24(2)11-15-8-14-4-3-7-25(18(14)22-16(15)12-26)19(27)23-17-6-5-13(9-20)10-21-17/h5-6,8,10,12H,3-4,7,11H2,1-2H3,(H,21,23,27)
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InChIKey
VRSRHEKCWDTVRL-UHFFFAOYSA-N
Physicochemical Property
logP
2.20708
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
102.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 118041381
ChEMBL ID
CHEMBL3971045
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 = 800 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)  1
1
IC50 > 3000 nM
   TI
   LI
   LO
   TS