General Information of the Compound
Compound ID
CP0465809
Compound Name
4-(10H-Anthracen-9-ylidene)-1-methyl-piperidine
    Show/Hide
Synonyms
4-(10H-Anthracen-9-ylidene)-1-methyl-piperidine
4-(10H-anthracen-9-ylidene)-1-methyl-piperidine
BDBM50097218
CHEMBL348459
SCHEMBL13921290
    Show/Hide
Structure
Formula
C20H21N
Molecular Weight
275.395
Canonical SMILES
CN1CCC(CC1)=C1c2ccccc2Cc2ccccc12
    Show/Hide
InChI
InChI=1S/C20H21N/c1-21-12-10-15(11-13-21)20-18-8-4-2-6-16(18)14-17-7-3-5-9-19(17)20/h2-9H,10-14H2,1H3
    Show/Hide
InChIKey
ZOARGTMABFXNDY-UHFFFAOYSA-N
Physicochemical Property
logP
4.1183
Rotatable Bonds
0
Heavy Atom Count
21
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
21

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10468648
SID: 15491637
ChEMBL ID
CHEMBL348459
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: PT01492, 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 = 0.7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(10H-Anthracen-9-ylidene)-1-methyl-piperidine )
Drug Name 4-(10H-Anthracen-9-ylidene)-1-methyl-piperidine
Target(s)
5-HT 2A receptor (HTR2A)
Inhibitor