General Information of the Compound
Compound ID
CP0560022
Compound Name
N-(5-cyano-4-propan-2-yloxypyridin-2-yl)-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
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Structure
Formula
C24H26N6O4
Molecular Weight
462.51
Canonical SMILES
CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C24H26N6O4/c1-15(2)34-20-10-21(26-12-18(20)11-25)28-24(33)30-8-3-5-16-9-17(19(14-31)27-23(16)30)13-29-7-4-6-22(29)32/h9-10,12,14-15H,3-8,13H2,1-2H3,(H,26,28,33)
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InChIKey
KLEFUSZBZSSQHZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.05508
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
128.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 118036278
ChEMBL ID
CHEMBL4764394
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)  2
1
IC50 = 0.7 nM
   TI
   LI
   LO
   TS
2
Kd = 3.8 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)  1
1
IC50 = 7 nM
   TI
   LI
   LO
   TS