General Information of the Compound
Compound ID
CP0439102
Compound Name
3-(9,10-dihydroanthracen-9-yl)-N,N-dimethylpropan-1-amine
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Structure
Formula
C19H23N
Molecular Weight
265.4
Canonical SMILES
CN(C)CCCC1c2ccccc2Cc2ccccc12
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InChI
InChI=1S/C19H23N/c1-20(2)13-7-12-19-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)19/h3-6,8-11,19H,7,12-14H2,1-2H3
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InChIKey
LRTHKJMSTYBFFO-UHFFFAOYSA-N
Physicochemical Property
logP
4.0645
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 10333104
SID: 15343609
ChEMBL ID
CHEMBL346230
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 = 22 nM
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