General Information of the Compound
Compound ID
CP0036840
Compound Name
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine
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Structure
Formula
C14H20N2O
Molecular Weight
232.327
Canonical SMILES
COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
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InChI
InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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InChIKey
ACEHBQPPDDGCGZ-UHFFFAOYSA-N
CAS
67292-68-6
Physicochemical Property
logP
2.58902
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
28.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 49756
SID: 14822952
ChEMBL ID
CHEMBL7143
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 = 80 nM
   TI
   LI
   LO
   TS
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 89 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 60 nM