General Information of the Compound
Compound ID
CP0881053
Compound Name
cyclohexyl-[4-(1H-imidazol-4-yl)-butyl]-amine tartaric acid
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Structure
Formula
C13H23N3
Molecular Weight
221.348
Canonical SMILES
c1nc(CCCCNC2CCCCC2)c[nH]1
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InChI
InChI=1S/C13H23N3/c1-2-6-12(7-3-1)15-9-5-4-8-13-10-14-11-16-13/h10-12,15H,1-9H2,(H,14,16)
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InChIKey
MJTKHTWGWXGNME-UHFFFAOYSA-N
Physicochemical Property
logP
2.6547
Rotatable Bonds
6
Heavy Atom Count
16
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 11521414
SID: 16623345
ChEMBL ID
CHEMBL383324
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 = 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 = 100 nM
   TI
   LI
   LO
   TS