General Information of the Compound
Compound ID
CP0004469
Compound Name
2-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)acetamide
    Show/Hide
Structure
Formula
C17H19N3O2
Molecular Weight
297.358
Canonical SMILES
O=C(CN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
    Show/Hide
InChI
InChI=1S/C17H19N3O2/c21-17(13-20-8-10-22-11-9-20)19-16-5-3-14(4-6-16)15-2-1-7-18-12-15/h1-7,12H,8-11,13H2,(H,19,21)
    Show/Hide
InChIKey
XMCWWJUSOBWMFE-UHFFFAOYSA-N
Physicochemical Property
logP
2.0193
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 57404458
SID: 136949977
ChEMBL ID
CHEMBL2012935
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)  1
1
Ki = 3900 nM
   TI
   LI
   LO
   TS