General Information of the Compound
Compound ID
CP0485228
Compound Name
4-amino-5-chloro-2-methoxy-N-piperidin-4-ylbenzamide
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Structure
Formula
C13H18ClN3O2
Molecular Weight
283.759
Canonical SMILES
COc1cc(N)c(Cl)cc1C(=O)NC1CCNCC1
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InChI
InChI=1S/C13H18ClN3O2/c1-19-12-7-11(15)10(14)6-9(12)13(18)17-8-2-4-16-5-3-8/h6-8,16H,2-5,15H2,1H3,(H,17,18)
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InChIKey
RUQHFNWNPDBISK-UHFFFAOYSA-N
Physicochemical Property
logP
1.4126
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
76.38
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 42499
SID: 85282422
ChEMBL ID
CHEMBL541969
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 = 398.11 nM
   TI
   LI
   LO
   TS
2
Ki = 1584.89 nM
   TI
   LI
   LO
   TS