General Information of the Compound
Compound ID
CP0423438
Compound Name
morpholin-4-yl-(2-phenyl-8-thiophen-2-yl-1,6-naphthyridin-4-yl)methanone
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Formula
C23H19N3O2S
Molecular Weight
401.491
Canonical SMILES
O=C(N1CCOCC1)c1cc(nc2c(cncc12)-c1cccs1)-c1ccccc1
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InChI
InChI=1S/C23H19N3O2S/c27-23(26-8-10-28-11-9-26)17-13-20(16-5-2-1-3-6-16)25-22-18(17)14-24-15-19(22)21-7-4-12-29-21/h1-7,12-15H,8-11H2
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InChIKey
QBEYIRLBIMQZPF-UHFFFAOYSA-N
Physicochemical Property
logP
4.4977
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
55.32
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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
CHEMBL4790155
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: PT01861, Urokinase plasminogen activator surface receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  3
1
IC50 = 9300 nM
   TI
   LI
   LO
   TS
2
IC50 = 10400 nM
   TI
   LI
   LO
   TS
3
Kd = 13000 nM
   TI
   LI
   LO
   TS