General Information of the Compound
Compound ID
CP0562537
Compound Name
N-[5-cyano-4-[(1-methylpiperidin-4-yl)methoxy]pyridin-2-yl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
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Structure
Formula
C24H26F2N6O3
Molecular Weight
484.507
Canonical SMILES
CN1CCC(COc2cc(NC(=O)N3CCCc4cc(C(F)F)c(C=O)nc34)ncc2C#N)CC1
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InChI
InChI=1S/C24H26F2N6O3/c1-31-7-4-15(5-8-31)14-35-20-10-21(28-12-17(20)11-27)30-24(34)32-6-2-3-16-9-18(22(25)26)19(13-33)29-23(16)32/h9-10,12-13,15,22H,2-8,14H2,1H3,(H,28,30,34)
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InChIKey
SYRXOGDLTJQMOH-UHFFFAOYSA-N
Physicochemical Property
logP
3.80368
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
111.45
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
35

"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: 118036477
ChEMBL ID
CHEMBL4785725
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 = 3.4 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 = 64 nM
   TI
   LI
   LO
   TS
2
IC50 = 403 nM
   TI
   LI
   LO
   TS