General Information of the Compound
Compound ID
CP0495130
Compound Name
3-[2-(dimethylamino)ethyl]-1-(2-fluoroethyl)indol-4-ol
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Structure
Formula
C14H19FN2O
Molecular Weight
250.317
Canonical SMILES
CN(C)CCc1cn(CCF)c2cccc(O)c12
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InChI
InChI=1S/C14H19FN2O/c1-16(2)8-6-11-10-17(9-7-15)12-4-3-5-13(18)14(11)12/h3-5,10,18H,6-9H2,1-2H3
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InChIKey
BPTGXVWZKNFNNT-UHFFFAOYSA-N
Physicochemical Property
logP
2.4205
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
28.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 166631041
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 188 nM
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   LI
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Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 2.7 nM
   TI
   LI
   LO
   TS