General Information of the Compound
Compound ID
CP0405625
Compound Name
((S)-7-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]1CCc2ccc(OC)cc2C1
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InChI
InChI=1S/C14H21NO/c1-3-8-15-13-6-4-11-5-7-14(16-2)10-12(11)9-13/h5,7,10,13,15H,3-4,6,8-9H2,1-2H3/t13-/m0/s1
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InChIKey
RMRODALMKPMZFW-ZDUSSCGKSA-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: 15651971
ChEMBL ID
CHEMBL336962
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 3206 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 3055 nM
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 3333 nM
   TI
   LI
   LO
   TS