General Information of the Compound
Compound ID
CP0454277
Compound Name
4-amino-5-chloro-2-methoxy-N-(1-pentylpiperidin-4-yl)benzamide
    Show/Hide
Structure
Formula
C18H28ClN3O2
Molecular Weight
353.894
Canonical SMILES
CCCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)cc1OC
    Show/Hide
InChI
InChI=1S/C18H28ClN3O2/c1-3-4-5-8-22-9-6-13(7-10-22)21-18(23)14-11-15(19)16(20)12-17(14)24-2/h11-13H,3-10,20H2,1-2H3,(H,21,23)
    Show/Hide
InChIKey
SCNMSNVYVPITRM-UHFFFAOYSA-N
Physicochemical Property
logP
3.3152
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
67.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 44248797
SID: 85282559
ChEMBL ID
CHEMBL557053
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: PT01307, 5-hydroxytryptamine receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 25.12 nM
   TI
   LI
   LO
   TS
2
Ki = 100 nM
   TI
   LI
   LO
   TS