General Information of the Compound
Compound ID
CP0859056
Compound Name
SID14726863
    Show/Hide
Structure
Formula
C11H17N3
Molecular Weight
191.278
Canonical SMILES
CN1CCN(c2ccccc2N)CC1
    Show/Hide
InChI
InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3
    Show/Hide
InChIKey
INWHDRNGZMHXEZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.0206
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
32.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 286547
ChEMBL ID
CHEMBL1879790
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: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 239.88 nM
   TI
   LI
   LO
   TS