General Information of the Compound
Compound ID
CP0516547
Compound Name
5-cyclopentyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
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Structure
Formula
C17H25N
Molecular Weight
243.394
Canonical SMILES
CN(C)C1CCc2c(C1)cccc2C1CCCC1
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InChI
InChI=1S/C17H25N/c1-18(2)15-10-11-17-14(12-15)8-5-9-16(17)13-6-3-4-7-13/h5,8-9,13,15H,3-4,6-7,10-12H2,1-2H3
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InChIKey
RPGGMPUMKSQSHG-UHFFFAOYSA-N
Physicochemical Property
logP
3.7631
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 118524964
ChEMBL ID
CHEMBL4648489
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 98 nM
   TI
   LI
   LO
   TS
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 240 nM
   TI
   LI
   LO
   TS