General Information of the Compound
Compound ID
CP0542369
Compound Name
3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol
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Structure
Formula
C14H20N2O
Molecular Weight
232.327
Canonical SMILES
CCn1cc(CCN(C)C)c2c(O)cccc12
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InChI
InChI=1S/C14H20N2O/c1-4-16-10-11(8-9-15(2)3)14-12(16)6-5-7-13(14)17/h5-7,10,17H,4,8-9H2,1-3H3
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InChIKey
PYJYLPCOHTVELW-UHFFFAOYSA-N
Physicochemical Property
logP
2.4709
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
28.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 58303886
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 = 196 nM
   TI
   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 = 0.9 nM
   TI
   LI
   LO
   TS