General Information of the Compound
Compound ID
CP0389410
Compound Name
7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
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Structure
Formula
C12H17NO
Molecular Weight
191.274
Canonical SMILES
CN(C)C1CCc2cccc(O)c2C1
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InChI
InChI=1S/C12H17NO/c1-13(2)10-7-6-9-4-3-5-12(14)11(9)8-10/h3-5,10,14H,6-8H2,1-2H3
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InChIKey
KTJZAXFDNXGQDU-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: 15629515
ChEMBL ID
CHEMBL146953
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: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 28000 nM
   TI
   LI
   LO
   TS