General Information of the Compound
Compound ID
CP0403630
Compound Name
5-(3-methoxyphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
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Structure
Formula
C19H23NO
Molecular Weight
281.399
Canonical SMILES
COc1cccc(c1)-c1cccc2CC(CCc12)N(C)C
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InChI
InChI=1S/C19H23NO/c1-20(2)16-10-11-19-14(12-16)7-5-9-18(19)15-6-4-8-17(13-15)21-3/h4-9,13,16H,10-12H2,1-3H3
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InChIKey
NRIHUZUVWCJOGG-UHFFFAOYSA-N
Physicochemical Property
logP
3.7811
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 25125375
SID: 56449626
ChEMBL ID
CHEMBL4644005
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 = 73 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 = 28 nM
   TI
   LI
   LO
   TS