General Information of the Compound
Compound ID
CP0388223
Compound Name
1-((1H-Imidazol-4-yl)methyl)-4-phenylpiperazine
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Structure
Formula
C14H18N4
Molecular Weight
242.326
Canonical SMILES
C(N1CCN(CC1)c1ccccc1)c1cnc[nH]1
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InChI
InChI=1S/C14H18N4/c1-2-4-14(5-3-1)18-8-6-17(7-9-18)11-13-10-15-12-16-13/h1-5,10,12H,6-9,11H2,(H,15,16)
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InChIKey
RQFRUVQKMKOILN-UHFFFAOYSA-N
Physicochemical Property
logP
1.7319
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
35.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 15288652
ChEMBL ID
CHEMBL1173032
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS