General Information of the Compound
Compound ID
CP0451307
Compound Name
6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)pyridin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
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Structure
Formula
C23H26N6O5
Molecular Weight
466.498
Canonical SMILES
COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C23H26N6O5/c1-15(31)28(2)13-17-9-16-5-4-6-29(22(16)26-19(17)14-30)23(32)27-21-10-20(34-8-7-33-3)18(11-24)12-25-21/h9-10,12,14H,4-8,13H2,1-3H3,(H,25,27,32)
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InChIKey
LKLLFMPSJSCSDN-UHFFFAOYSA-N
Physicochemical Property
logP
2.14898
Rotatable Bonds
8
Heavy Atom Count
34
Polar Areas
137.75
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
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: 118036192
ChEMBL ID
CHEMBL4784243
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)  2
1
IC50 = 2.1 nM
   TI
   LI
   LO
   TS
2
Kd = 3.6 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 = 5 nM
   TI
   LI
   LO
   TS