General Information of the Compound
Compound ID
CP0553338
Compound Name
N-[5-cyano-4-(2-methoxyethoxy)pyridin-2-yl]-6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
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Formula
C26H33N7O4
Molecular Weight
507.595
Canonical SMILES
COCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@H](C)N[C@H](C)C4)c(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C26H33N7O4/c1-17-13-32(14-18(2)29-17)15-20-9-19-5-4-6-33(25(19)30-22(20)16-34)26(35)31-24-10-23(37-8-7-36-3)21(11-27)12-28-24/h9-10,12,16-18,29H,4-8,13-15H2,1-3H3,(H,28,31,35)/t17-,18+
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InChIKey
IKPPEZYAZCCZLQ-HDICACEKSA-N
Physicochemical Property
logP
2.35288
Rotatable Bonds
8
Heavy Atom Count
37
Polar Areas
132.71
Hydrogen Bond Donor Count
2
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
CHEMBL4752290
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 = 2.6 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)  2
1
IC50 = 27 nM
   TI
   LI
   LO
   TS
2
IC50 = 1775 nM
   TI
   LI
   LO
   TS