General Information of the Compound
Compound ID
CP0096622
Compound Name
((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine; hydrochloride
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Structure
Formula
C16H24FN
Molecular Weight
249.373
Canonical SMILES
CCCN(CCC)[C@@H]1CCc2c(F)cccc2C1
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InChI
InChI=1S/C16H24FN/c1-3-10-18(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)17/h5-7,14H,3-4,8-12H2,1-2H3/t14-/m1/s1
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InChIKey
WFENTJXFRAVXHY-CQSZACIVSA-N
Physicochemical Property
logP
3.805
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
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: 10729313
SID: 15765052
ChEMBL ID
CHEMBL69985
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)  2
1
Ki = 26 nM
   TI
   LI
   LO
   TS
2
Ki = 201 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 26 nM
2 Ki = 201 nM