General Information of the Compound
Compound ID
CP0425541
Compound Name
US9266883, 21
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Structure
Formula
C17H15N5O2
Molecular Weight
321.34
Canonical SMILES
Cc1cc2CCCN(C(=O)Nc3ccc(cn3)C#N)c2nc1C=O
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InChI
InChI=1S/C17H15N5O2/c1-11-7-13-3-2-6-22(16(13)20-14(11)10-23)17(24)21-15-5-4-12(8-18)9-19-15/h4-5,7,9-10H,2-3,6H2,1H3,(H,19,21,24)
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InChIKey
MHOAWYIRASPLAH-UHFFFAOYSA-N
Physicochemical Property
logP
2.4539
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
98.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 118036366
ChEMBL ID
CHEMBL3953738
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 = 33 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 = 78 nM
   TI
   LI
   LO
   TS
2
IC50 = 244 nM
   TI
   LI
   LO
   TS