General Information of the Compound
Compound ID
CP0562751
Compound Name
6-bromo-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
C19H18BrN5O4
Molecular Weight
460.288
Canonical SMILES
COCCOc1cc(NC(=O)N2CCCc3cc(Br)c(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C19H18BrN5O4/c1-28-5-6-29-16-8-17(22-10-13(16)9-21)24-19(27)25-4-2-3-12-7-14(20)15(11-26)23-18(12)25/h7-8,10-11H,2-6H2,1H3,(H,22,24,27)
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InChIKey
MJFNOJIJYDCXJL-UHFFFAOYSA-N
Physicochemical Property
logP
2.93318
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
117.44
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 118036694
ChEMBL ID
CHEMBL4781882
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 = 2 nM
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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 = 2.9 nM
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