General Information of the Compound
Compound ID
CP0447814
Compound Name
((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine
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Structure
Formula
C17H27NO
Molecular Weight
261.409
Canonical SMILES
CCCN(CCC)[C@H]1CCc2ccc(OC)cc2C1
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InChI
InChI=1S/C17H27NO/c1-4-10-18(11-5-2)16-8-6-14-7-9-17(19-3)13-15(14)12-16/h7,9,13,16H,4-6,8,10-12H2,1-3H3/t16-/m0/s1
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InChIKey
OKVMMISWCZKJGO-INIZCTEOSA-N
Physicochemical Property
logP
3.6745
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 10801405
SID: 15840890
ChEMBL ID
CHEMBL135944
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 = 3351 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 = 266 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 = 335 nM
   TI
   LI
   LO
   TS