General Information of the Compound
Compound ID
CP0877509
Compound Name
[5-(1H-imidazol-4-yl)-pentyl]-diethyl-amine
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Structure
Formula
C12H23N3
Molecular Weight
209.337
Canonical SMILES
CCN(CC)CCCCCc1c[nH]cn1
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InChI
InChI=1S/C12H23N3/c1-3-15(4-2)9-7-5-6-8-12-10-13-11-14-12/h10-11H,3-9H2,1-2H3,(H,13,14)
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InChIKey
XOTVIUDNDAPPIB-UHFFFAOYSA-N
Physicochemical Property
logP
2.4643
Rotatable Bonds
8
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: 11492189
SID: 16594039
ChEMBL ID
CHEMBL205511
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)  1
1
Ki = 63.1 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 = 630.96 nM
   TI
   LI
   LO
   TS