General Information of the Compound
Compound ID
CP0439322
Compound Name
2-amino-5(2-aminoethyl)-4-methyl-1,3-selenazole
    Show/Hide
Structure
Formula
C6H11N3Se
Molecular Weight
204.135
Canonical SMILES
Cc1nc(N)[se]c1CCN
    Show/Hide
InChI
InChI=1S/C6H11N3Se/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8,9)
    Show/Hide
InChIKey
PKGAPIBVLGICCE-UHFFFAOYSA-N
Physicochemical Property
logP
-0.46958
Rotatable Bonds
2
Heavy Atom Count
10
Polar Areas
64.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
10

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 9990475
SID: 14969026
ChEMBL ID
CHEMBL1632408
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: PT01357, Histamine H2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 2511.89 nM
   TI
   LI
   LO
   TS