General Information of the Compound
Compound ID
CP0510856
Compound Name
3-(2-pyrrolidin-1-ylethyl)pyridine
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Structure
Formula
C11H16N2
Molecular Weight
176.263
Canonical SMILES
C(Cc1cccnc1)N1CCCC1
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InChI
InChI=1S/C11H16N2/c1-2-8-13(7-1)9-5-11-4-3-6-12-10-11/h3-4,6,10H,1-2,5,7-9H2
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InChIKey
YWULZWMGJASRBS-UHFFFAOYSA-N
Physicochemical Property
logP
1.7199
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 23273673
ChEMBL ID
CHEMBL272950
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 340 nM
   TI
   LI
   LO
   TS