General Information of the Compound
Compound ID
CP0076852
Compound Name
2-(5-methoxy-2-propyl-1H-indol-3-yl)-N,N-dimethylethanamine
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Structure
Formula
C16H24N2O
Molecular Weight
260.381
Canonical SMILES
CCCc1[nH]c2ccc(OC)cc2c1CCN(C)C
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InChI
InChI=1S/C16H24N2O/c1-5-6-15-13(9-10-18(2)3)14-11-12(19-4)7-8-16(14)17-15/h7-8,11,17H,5-6,9-10H2,1-4H3
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InChIKey
BCOTUUNTPYJFKB-UHFFFAOYSA-N
Physicochemical Property
logP
3.2331
Rotatable Bonds
6
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: 10563312
SID: 15590935
ChEMBL ID
CHEMBL7379
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 = 185 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 185 nM