General Information of the Compound
Compound ID
CP0083701
Compound Name
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine
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Structure
Formula
C14H21NO
Molecular Weight
219.328
Canonical SMILES
CCCN[C@@H]1CCc2c(C1)cccc2OC
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InChI
InChI=1S/C14H21NO/c1-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16-2/h4-6,12,15H,3,7-10H2,1-2H3/t12-/m1/s1
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InChIKey
ICJPCRXVYMMSJY-GFCCVEGCSA-N
Physicochemical Property
logP
2.5521
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 10656511
SID: 15688586
ChEMBL ID
CHEMBL71275
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 = 82.3 nM
   TI
   LI
   LO
   TS
2
Ki = 114 nM
   TI
   LI
   LO
   TS