General Information of the Compound
Compound ID
CP0359400
Compound Name
(9-Benzyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-ylmethyl)-dimethyl-amine
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Structure
Formula
C23H28N2O
Molecular Weight
348.49
Canonical SMILES
COc1ccc2n(Cc3ccccc3)c3CCCC(CN(C)C)c3c2c1
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InChI
InChI=1S/C23H28N2O/c1-24(2)16-18-10-7-11-22-23(18)20-14-19(26-3)12-13-21(20)25(22)15-17-8-5-4-6-9-17/h4-6,8-9,12-14,18H,7,10-11,15-16H2,1-3H3
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InChIKey
RLXHAWJOGOMQQU-UHFFFAOYSA-N
Physicochemical Property
logP
4.6797
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
17.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 12051078
ChEMBL ID
CHEMBL329046
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 136 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 136 nM