General Information of the Compound
Compound ID
CP0556181
Compound Name
N-[5-cyano-4-(2-methoxyethoxy)pyridin-2-yl]-6-[[2-(dimethylamino)ethyl-methylsulfonylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
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Formula
C25H33N7O6S
Molecular Weight
559.649
Canonical SMILES
COCCOc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)S(C)(=O)=O)c(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C25H33N7O6S/c1-30(2)8-9-31(39(4,35)36)16-19-12-18-6-5-7-32(24(18)28-21(19)17-33)25(34)29-23-13-22(38-11-10-37-3)20(14-26)15-27-23/h12-13,15,17H,5-11,16H2,1-4H3,(H,27,29,34)
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InChIKey
ITNZAPINLBLEPR-UHFFFAOYSA-N
Physicochemical Property
logP
1.49388
Rotatable Bonds
12
Heavy Atom Count
39
Polar Areas
158.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
10
Complexity
39

"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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ChEMBL ID
CHEMBL4777580
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 = 2.3 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 = 19 nM
   TI
   LI
   LO
   TS
2
IC50 = 504 nM
   TI
   LI
   LO
   TS