General Information of the Compound
Compound ID
CP0540990
Compound Name
US9266883, 52
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Structure
Formula
C18H15N5O4
Molecular Weight
365.349
Canonical SMILES
OC(=O)Cc1cc2CCCN(C(=O)Nc3ccc(cn3)C#N)c2nc1C=O
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InChI
InChI=1S/C18H15N5O4/c19-8-11-3-4-15(20-9-11)22-18(27)23-5-1-2-12-6-13(7-16(25)26)14(10-24)21-17(12)23/h3-4,6,9-10H,1-2,5,7H2,(H,25,26)(H,20,22,27)
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InChIKey
ARSSWPHPEXHXST-UHFFFAOYSA-N
Physicochemical Property
logP
1.77258
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
136.28
Hydrogen Bond Donor Count
2
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: 118036562
ChEMBL ID
CHEMBL3926134
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 = 28 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