General Information of the Compound
Compound ID
CP0037936
Compound Name
6-(1H-imidazol-5-yl)hexan-1-amine
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Structure
Formula
C9H17N3
Molecular Weight
167.256
Canonical SMILES
NCCCCCCc1cnc[nH]1
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InChI
InChI=1S/C9H17N3/c10-6-4-2-1-3-5-9-7-11-8-12-9/h7-8H,1-6,10H2,(H,11,12)
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InChIKey
QDMPFGBUXBHFTH-UHFFFAOYSA-N
Physicochemical Property
logP
1.4713
Rotatable Bonds
6
Heavy Atom Count
12
Polar Areas
54.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 10261471
SID: 15265292
ChEMBL ID
CHEMBL554031
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 = 33.11 nM
   TI
   LI
   LO
   TS
2
Ki = 10 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