General Information of the Compound
Compound ID
CP0386153
Compound Name
1-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-4-phenylquinolin-2-one
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Structure
Formula
C23H24N2O
Molecular Weight
344.458
Canonical SMILES
O=c1cc(-c2ccccc2)c2ccccc2n1CC1CN2CCC1CC2
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InChI
InChI=1S/C23H24N2O/c26-23-14-21(18-6-2-1-3-7-18)20-8-4-5-9-22(20)25(23)16-19-15-24-12-10-17(19)11-13-24/h1-9,14,17,19H,10-13,15-16H2
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InChIKey
GIVLVDCIMORORF-UHFFFAOYSA-N
Physicochemical Property
logP
4.0103
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 71566844
SID: 163593264
ChEMBL ID
CHEMBL2332476
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: PT02118, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 150 nM
   TI
   LI
   LO
   TS
2
EC50 = 760 nM
   TI
   LI
   LO
   TS