General Information of the Compound
Compound ID
CP0463842
Compound Name
(9,10-Dihydro-anthracen-9-ylmethyl)-methyl-amine
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Structure
Formula
C16H17N
Molecular Weight
223.319
Canonical SMILES
CNCC1c2ccccc2Cc2ccccc12
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InChI
InChI=1S/C16H17N/c1-17-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3
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InChIKey
ZZEQOXMRTJPRMI-UHFFFAOYSA-N
Physicochemical Property
logP
2.9421
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 44313266
ChEMBL ID
CHEMBL73307
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 = 52 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 52 nM