General Information of the Compound
Compound ID
CP0197119
Compound Name
4-(1H-imidazol-5-yl)-1,2,3,6-tetrahydropyridine
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Structure
Formula
C8H11N3
Molecular Weight
149.197
Canonical SMILES
C1CC(=CCN1)c1c[nH]cn1
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InChI
InChI=1S/C8H11N3/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1,5-6,9H,2-4H2,(H,10,11)
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InChIKey
NYMBHXQAMFVNIG-UHFFFAOYSA-N
Physicochemical Property
logP
0.7864
Rotatable Bonds
1
Heavy Atom Count
11
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
11

"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: 24729202
ChEMBL ID
CHEMBL150243
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 = 1513.56 nM
   TI
   LI
   LO
   TS
2
Ki = 4265.8 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
EC50 < 10000 nM
   TI
   LI
   LO
   TS