General Information of the Compound
Compound ID
CP0069764
Compound Name
7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol; hydrobromide
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Structure
Formula
C16H25NO
Molecular Weight
247.382
Canonical SMILES
CCCN(CCC)[C@H]1CCc2cccc(O)c2C1
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InChI
InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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InChIKey
ASXGJMSKWNBENU-AWEZNQCLSA-N
Physicochemical Property
logP
3.3715
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 10125797
SID: 113031618
ChEMBL ID
CHEMBL41436
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 = 7.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 1.995 nM
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 = 1000 nM
   TI
   LI
   LO
   TS