General Information of the Compound
Compound ID
CP0552909
Compound Name
N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine
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Structure
Formula
C22H23N
Molecular Weight
301.433
Canonical SMILES
CN(C)C1CCc2c(C1)cccc2-c1cccc2ccccc12
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InChI
InChI=1S/C22H23N/c1-23(2)18-13-14-20-17(15-18)9-6-12-22(20)21-11-5-8-16-7-3-4-10-19(16)21/h3-12,18H,13-15H2,1-2H3
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InChIKey
WNXYNWFSYYZAPJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.9257
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
23

"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: 56660668
ChEMBL ID
CHEMBL4633326
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 = 130 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 = 22 nM
   TI
   LI
   LO
   TS