General Information of the Compound
Compound ID
CP0228753
Compound Name
(6-Methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-ylmethyl)-dimethyl-amine
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Structure
Formula
C16H22N2O
Molecular Weight
258.365
Canonical SMILES
COc1ccc2[nH]c3CCCC(CN(C)C)c3c2c1
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InChI
InChI=1S/C16H22N2O/c1-18(2)10-11-5-4-6-15-16(11)13-9-12(19-3)7-8-14(13)17-15/h7-9,11,17H,4-6,10H2,1-3H3
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InChIKey
MEUKAKNAKNCMKB-UHFFFAOYSA-N
Physicochemical Property
logP
3.158
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
28.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 10658892
SID: 15691125
ChEMBL ID
CHEMBL7228
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 168 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 168 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 168 nM