General Information of the Compound
Compound ID
CP0447817
Compound Name
N,N-diethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
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Structure
Formula
C15H23NO
Molecular Weight
233.355
Canonical SMILES
CCN(CC)C1CCc2c(C1)cccc2OC
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InChI
InChI=1S/C15H23NO/c1-4-16(5-2)13-9-10-14-12(11-13)7-6-8-15(14)17-3/h6-8,13H,4-5,9-11H2,1-3H3
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InChIKey
YGHHMTVTTJJSQZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.8943
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 12581203
ChEMBL ID
CHEMBL134701
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 = 120 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 = 857 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 = 964 nM
   TI
   LI
   LO
   TS