General Information of the Compound
Compound ID
CP0389020
Compound Name
5-(2-phenylethyl)-1H-imidazol-2-amine
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Structure
Formula
C11H13N3
Molecular Weight
187.246
Canonical SMILES
Nc1ncc(CCc2ccccc2)[nH]1
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InChI
InChI=1S/C11H13N3/c12-11-13-8-10(14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,12,13,14)
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InChIKey
JWSUUOBMJYGKOD-UHFFFAOYSA-N
Physicochemical Property
logP
1.7771
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
54.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 24952865
SID: 56250689
ChEMBL ID
CHEMBL2392119
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: PT03817, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 4800 nM
   TI
   LI
   LO
   TS
Protein ID: PT02562, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS