General Information of the Compound
Compound ID
CP0219702
Compound Name
US9266883, 23
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Structure
Formula
C19H19N5O4
Molecular Weight
381.392
Canonical SMILES
COCCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C19H19N5O4/c1-27-7-8-28-16-9-17(21-11-14(16)10-20)23-19(26)24-6-2-3-13-4-5-15(12-25)22-18(13)24/h4-5,9,11-12H,2-3,6-8H2,1H3,(H,21,23,26)
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InChIKey
LTZMJBMNBAPUKS-UHFFFAOYSA-N
Physicochemical Property
logP
2.17068
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
117.44
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 118036824
ChEMBL ID
CHEMBL3908044
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 = 1.3 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 18 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.3 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 = 18 nM
   TI
   LI
   LO
   TS
2
IC50 = 22 nM
   TI
   LI
   LO
   TS