General Information of the Compound
Compound ID
CP0873818
Compound Name
N-(4-(4-chlorophenyl)butyl)-4-(piperidin-1-yl)butanamide hydrochloride
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Structure
Formula
C19H30Cl2N2O
Molecular Weight
373.368
Canonical SMILES
Cl.O=C(CCCN1CCCCC1)NCCCCc1ccc(Cl)cc1
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InChI
InChI=1S/C19H29ClN2O.ClH/c20-18-11-9-17(10-12-18)7-2-3-13-21-19(23)8-6-16-22-14-4-1-5-15-22;/h9-12H,1-8,13-16H2,(H,21,23);1H
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InChIKey
RMLMRIZXHAOGKS-UHFFFAOYSA-N
Physicochemical Property
logP
4.4668
Rotatable Bonds
9
Heavy Atom Count
24
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 73348065
ChEMBL ID
CHEMBL2441947
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 125.89 nM
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