General Information of the Compound
Compound ID
CP0496759
Compound Name
1-(9,10-Dihydro-anthracen-9-yl)-ethylamine
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Structure
Formula
C16H17N
Molecular Weight
223.319
Canonical SMILES
CC(N)C1c2ccccc2Cc2ccccc12
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InChI
InChI=1S/C16H17N/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-9,11,16H,10,17H2,1H3
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InChIKey
OXLDTPJMGXRPDN-UHFFFAOYSA-N
Physicochemical Property
logP
3.0699
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
26.02
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: 10900237
SID: 15948463
ChEMBL ID
CHEMBL45207
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 = 193 nM
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