General Information of the Compound
Compound ID
CP0562540
Compound Name
N-[5-cyano-4-(2-methoxyethoxy)pyridin-2-yl]-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
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Formula
C25H31N7O5
Molecular Weight
509.567
Canonical SMILES
COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C25H31N7O5/c1-30(2)15-23(34)31(3)14-18-10-17-6-5-7-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-4)19(12-26)13-27-22/h10-11,13,16H,5-9,14-15H2,1-4H3,(H,27,29,35)
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InChIKey
SQYFEWJBHLEALW-UHFFFAOYSA-N
Physicochemical Property
logP
1.69068
Rotatable Bonds
10
Heavy Atom Count
37
Polar Areas
140.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
37

"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
CHEMBL4791610
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 = 0.9 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 = 4.8 nM
   TI
   LI
   LO
   TS
2
IC50 = 33 nM
   TI
   LI
   LO
   TS