General Information of the Compound
Compound ID
CP0477302
Compound Name
2-(2-fluoropyridin-4-yl)-1,7-naphthyridine
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Structure
Formula
C13H8FN3
Molecular Weight
225.226
Canonical SMILES
Fc1cc(ccn1)-c1ccc2ccncc2n1
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InChI
InChI=1S/C13H8FN3/c14-13-7-10(4-6-16-13)11-2-1-9-3-5-15-8-12(9)17-11/h1-8H
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InChIKey
MCIRSVXTCLMZIA-UHFFFAOYSA-N
Physicochemical Property
logP
2.8309
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
38.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 155557716
ChEMBL ID
CHEMBL4558988
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: PT01149, Misshapen-like kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 3981.07 nM
   TI
   LI
   LO
   TS
2
IC50 = 25118.86 nM
   TI
   LI
   LO
   TS
Protein ID: PT01532, Mitogen-activated protein kinase kinase kinase kinase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 3981.07 nM
   TI
   LI
   LO
   TS
2
IC50 = 19952.62 nM
   TI
   LI
   LO
   TS
Protein ID: PT02000, TRAF2 and NCK-interacting protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 5011.87 nM
   TI
   LI
   LO
   TS
2
IC50 = 15848.93 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 31622.78 nM
   TI
   LI
   LO
   TS