General Information of the Compound
Compound ID
CP0544379
Compound Name
N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridin-2-yl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
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Structure
Formula
C24H28F2N6O3
Molecular Weight
486.523
Canonical SMILES
CN(C)CC(C)(C)COc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C24H28F2N6O3/c1-24(2,13-31(3)4)14-35-19-9-20(28-11-16(19)10-27)30-23(34)32-7-5-6-15-8-17(21(25)26)18(12-33)29-22(15)32/h8-9,11-12,21H,5-7,13-14H2,1-4H3,(H,28,30,34)
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InChIKey
MADSRQSZSPYHKJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.04968
Rotatable Bonds
8
Heavy Atom Count
35
Polar Areas
111.45
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: 118037118
ChEMBL ID
CHEMBL4779862
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 = 3.1 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)  2
1
IC50 = 40 nM
   TI
   LI
   LO
   TS
2
IC50 = 573 nM
   TI
   LI
   LO
   TS