General Information of the Compound
Compound ID
CP0483759
Compound Name
6-[[acetyl(propan-2-yl)amino]methyl]-N-(5-cyano-4-propan-2-yloxypyridin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
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Structure
Formula
C25H30N6O4
Molecular Weight
478.553
Canonical SMILES
CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C(C)C)C(C)=O)c(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C25H30N6O4/c1-15(2)31(17(5)33)13-19-9-18-7-6-8-30(24(18)28-21(19)14-32)25(34)29-23-10-22(35-16(3)4)20(11-26)12-27-23/h9-10,12,14-16H,6-8,13H2,1-5H3,(H,27,29,34)
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InChIKey
ONOWRSVLYIIVOM-UHFFFAOYSA-N
Physicochemical Property
logP
3.68958
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
128.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 118036530
ChEMBL ID
CHEMBL4756889
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 = 1.1 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 = 13 nM
   TI
   LI
   LO
   TS