General Information of the Compound
Compound ID
CP0517850
Compound Name
US9266883, 257
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Structure
Formula
C23H24N8O3
Molecular Weight
460.498
Canonical SMILES
COCCNc1cc(NC(=O)N2CCCc3cc(-c4ccnn4C)c(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C23H24N8O3/c1-30-20(5-6-27-30)17-10-15-4-3-8-31(22(15)28-19(17)14-32)23(33)29-21-11-18(25-7-9-34-2)16(12-24)13-26-21/h5-6,10-11,13-14H,3-4,7-9H2,1-2H3,(H2,25,26,29,33)
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InChIKey
XJRREISSIXYRMU-UHFFFAOYSA-N
Physicochemical Property
logP
2.60428
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
138.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
Complexity
34

"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: 118036712
ChEMBL ID
CHEMBL3925900
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 = 12 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 = 18 nM
   TI
   LI
   LO
   TS