General Information of the Compound
Compound ID
CP0475033
Compound Name
2-cyclopentyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]acetamide
    Show/Hide
Structure
Formula
C22H33N3O
Molecular Weight
355.526
Canonical SMILES
CC1CCCN1C1CCN(C1)c1ccc(NC(=O)CC2CCCC2)cc1
    Show/Hide
InChI
InChI=1S/C22H33N3O/c1-17-5-4-13-25(17)21-12-14-24(16-21)20-10-8-19(9-11-20)23-22(26)15-18-6-2-3-7-18/h8-11,17-18,21H,2-7,12-16H2,1H3,(H,23,26)
    Show/Hide
InChIKey
WRBZABSLXIGYJG-UHFFFAOYSA-N
Physicochemical Property
logP
4.2684
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 25264796
SID: 58099536
ChEMBL ID
CHEMBL2441653
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: PT00577, Histamine receptor H3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3.1 nM
   TI
   LI
   LO
   TS