General Information of the Compound
Compound ID
CP0491718
Compound Name
3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine
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Structure
Formula
C18H21N
Molecular Weight
251.373
Canonical SMILES
CNCCCC1c2ccccc2Cc2ccccc12
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InChI
InChI=1S/C18H21N/c1-19-12-6-11-18-16-9-4-2-7-14(16)13-15-8-3-5-10-17(15)18/h2-5,7-10,18-19H,6,11-13H2,1H3
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InChIKey
HMWYNGSUVFCIHB-UHFFFAOYSA-N
Physicochemical Property
logP
3.7223
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 10399921
SID: 15416494
ChEMBL ID
CHEMBL348302
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 = 13 nM
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