General Information of the Compound
Compound ID
CP0553762
Compound Name
4-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-pyrrolidin-1-ylethyl)benzamide
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Structure
Formula
C23H35N3O2
Molecular Weight
385.552
Canonical SMILES
O=C(NCCN1CCCC1)c1ccc(OC2CCN(CC2)C2CCCC2)cc1
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InChI
InChI=1S/C23H35N3O2/c27-23(24-13-18-25-14-3-4-15-25)19-7-9-21(10-8-19)28-22-11-16-26(17-12-22)20-5-1-2-6-20/h7-10,20,22H,1-6,11-18H2,(H,24,27)
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InChIKey
IJDFMYHFVNWRLK-UHFFFAOYSA-N
Physicochemical Property
logP
3.298
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 155564518
ChEMBL ID
CHEMBL4574463
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 2.4 nM
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