General Information of the Compound
Compound ID
CP0465315
Compound Name
6-(2-phenylethyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
    Show/Hide
Structure
Formula
C24H33N
Molecular Weight
335.535
Canonical SMILES
CCCN(CCC)C1CCc2cc(CCc3ccccc3)ccc2C1
    Show/Hide
InChI
InChI=1S/C24H33N/c1-3-16-25(17-4-2)24-15-14-22-18-21(12-13-23(22)19-24)11-10-20-8-6-5-7-9-20/h5-9,12-13,18,24H,3-4,10-11,14-17,19H2,1-2H3
    Show/Hide
InChIKey
HCNYNWZHRZQZAX-UHFFFAOYSA-N
Physicochemical Property
logP
5.4511
Rotatable Bonds
8
Heavy Atom Count
25
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
25

"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: 44353476
ChEMBL ID
CHEMBL130665
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki = 398.11 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3.981 nM
   TI
   LI
   LO
   TS