General Information of the Compound
Compound ID
CP0569512
Compound Name
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]benzamide
    Show/Hide
Structure
Formula
C20H25N3O3
Molecular Weight
355.438
Canonical SMILES
COc1cccc(c1)N1CCN(CCOc2ccccc2C(N)=O)CC1
    Show/Hide
InChI
InChI=1S/C20H25N3O3/c1-25-17-6-4-5-16(15-17)23-11-9-22(10-12-23)13-14-26-19-8-3-2-7-18(19)20(21)24/h2-8,15H,9-14H2,1H3,(H2,21,24)
    Show/Hide
InChIKey
MYSZRHPWEGFDML-UHFFFAOYSA-N
Physicochemical Property
logP
1.9951
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
68.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 76315143
ChEMBL ID
CHEMBL2234891
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 155 nM
   TI
   LI
   LO
   TS