General Information of the Compound
Compound ID
CP0531595
Compound Name
US9266883, 262
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Structure
Formula
C23H25N7O5
Molecular Weight
479.497
Canonical SMILES
COCCNc1cc(NC(=O)N2CCCc3cc(N4CCOCC4=O)c(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C23H25N7O5/c1-34-7-4-25-17-10-20(26-12-16(17)11-24)28-23(33)30-5-2-3-15-9-19(18(13-31)27-22(15)30)29-6-8-35-14-21(29)32/h9-10,12-13H,2-8,14H2,1H3,(H2,25,26,28,33)
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InChIKey
VFXYJJTWOBBDBT-UHFFFAOYSA-N
Physicochemical Property
logP
1.56698
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
149.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
Complexity
35

"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: 118036631
ChEMBL ID
CHEMBL3964830
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 = 8.8 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 = 34 nM
   TI
   LI
   LO
   TS