General Information of the Compound
Compound ID
CP0466386
Compound Name
7-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
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Structure
Formula
C17H27NO
Molecular Weight
261.409
Canonical SMILES
CCCCN(CCC)C1CCc2cccc(O)c2C1
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InChI
InChI=1S/C17H27NO/c1-3-5-12-18(11-4-2)15-10-9-14-7-6-8-17(19)16(14)13-15/h6-8,15,19H,3-5,9-13H2,1-2H3
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InChIKey
MTEMJNZNFHSFDW-UHFFFAOYSA-N
Physicochemical Property
logP
3.7616
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
23.47
Hydrogen Bond Donor Count
1
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: 21689040
ChEMBL ID
CHEMBL149482
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1.2 nM
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   LI
   LO
   TS