General Information of the Compound
Compound ID
CP0881157
Compound Name
4-(5-pyrrolidin-1-yl-pentyl)-1H-imidazole
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Structure
Formula
C12H21N3
Molecular Weight
207.321
Canonical SMILES
c1nc(CCCCCN2CCCC2)c[nH]1
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InChI
InChI=1S/C12H21N3/c1(2-6-12-10-13-11-14-12)3-7-15-8-4-5-9-15/h10-11H,1-9H2,(H,13,14)
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InChIKey
WPDUKOOPOVGUGG-UHFFFAOYSA-N
Physicochemical Property
logP
2.2183
Rotatable Bonds
6
Heavy Atom Count
15
Polar Areas
31.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 11637064
SID: 16740223
ChEMBL ID
CHEMBL203228
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
CL000074 SK-N-MC Homo sapiens (Human)  2
1
EC50 = 31.62 nM
   TI
   LI
   LO
   TS
2
Ki = 31.62 nM
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 794.33 nM
   TI
   LI
   LO
   TS