General Information of the Compound
Compound ID
CP0531561
Compound Name
(2,8-diphenylquinolin-4-yl)-morpholin-4-ylmethanone
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Formula
C26H22N2O2
Molecular Weight
394.474
Canonical SMILES
O=C(N1CCOCC1)c1cc(nc2c(cccc12)-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C26H22N2O2/c29-26(28-14-16-30-17-15-28)23-18-24(20-10-5-2-6-11-20)27-25-21(12-7-13-22(23)25)19-8-3-1-4-9-19/h1-13,18H,14-17H2
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InChIKey
YFWIUAHABULBNW-UHFFFAOYSA-N
Physicochemical Property
logP
5.0412
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
42.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
30

"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
CHEMBL4757892
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)  2
1
IC50 = 9800 nM
   TI
   LI
   LO
   TS
2
IC50 = 13900 nM
   TI
   LI
   LO
   TS