General Information of the Compound
Compound ID
CP0439101
Compound Name
(9,10-Dihydro-anthracen-9-ylmethyl)-dimethyl-amine
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Structure
Formula
C17H19N
Molecular Weight
237.346
Canonical SMILES
CN(C)CC1c2ccccc2Cc2ccccc12
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InChI
InChI=1S/C17H19N/c1-18(2)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-10,17H,11-12H2,1-2H3
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InChIKey
FCRIMCQUUZFBDN-UHFFFAOYSA-N
Physicochemical Property
logP
3.2843
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: 14248602
ChEMBL ID
CHEMBL160933
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 540 nM
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