General Information of the Compound
Compound ID
CP0508569
Compound Name
N-ethyl-2-[2-(furan-2-yl)-1H-indol-3-yl]-N-methylethanamine
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Structure
Formula
C17H20N2O
Molecular Weight
268.36
Canonical SMILES
CCN(C)CCc1c([nH]c2ccccc12)-c1ccco1
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InChI
InChI=1S/C17H20N2O/c1-3-19(2)11-10-14-13-7-4-5-8-15(13)18-17(14)16-9-6-12-20-16/h4-9,12,18H,3,10-11H2,1-2H3
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InChIKey
CIXYYTIQIAPPSA-UHFFFAOYSA-N
Physicochemical Property
logP
3.9221
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
32.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 44324071
ChEMBL ID
CHEMBL92417
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS