General Information of the Compound
Compound ID
CP0189486
Compound Name
US9266883, 234
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Structure
Formula
C18H17N5O3
Molecular Weight
351.366
Canonical SMILES
CC(C)Oc1cc(NC(=O)N2CCc3ccc(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C18H17N5O3/c1-11(2)26-15-7-16(20-9-13(15)8-19)22-18(25)23-6-5-12-3-4-14(10-24)21-17(12)23/h3-4,7,9-11H,5-6H2,1-2H3,(H,20,22,25)
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InChIKey
PEJJPPKGPWIICR-UHFFFAOYSA-N
Physicochemical Property
logP
2.54258
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
108.21
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 118036948
ChEMBL ID
CHEMBL3896282
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 = 11 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 55 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.1 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 = 55 nM
   TI
   LI
   LO
   TS