General Information of the Compound
Compound ID
CP0428555
Compound Name
7-Dimethylamino-5,6,7,8-tetrahydro-naphthalen-2-ol
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Structure
Formula
C12H17NO
Molecular Weight
191.274
Canonical SMILES
CN(C)C1CCc2ccc(O)cc2C1
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InChI
InChI=1S/C12H17NO/c1-13(2)11-5-3-9-4-6-12(14)8-10(9)7-11/h4,6,8,11,14H,3,5,7H2,1-2H3
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InChIKey
YVQFTRVYMAREIA-UHFFFAOYSA-N
Physicochemical Property
logP
1.8111
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 10559624
SID: 15586914
ChEMBL ID
CHEMBL135932
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)  2
1
Ki = 5.4 nM
   TI
   LI
   LO
   TS
2
Ki = 55 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 = 1.41 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 = 729 nM
   TI
   LI
   LO
   TS