General Information of the Compound
Compound ID
CP0503038
Compound Name
ethyl N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
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Structure
Formula
C20H22N2O3
Molecular Weight
338.407
Canonical SMILES
CCOC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
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InChI
InChI=1S/C20H22N2O3/c1-2-24-20(23)21-11-10-16-13-22-19-9-8-17(12-18(16)19)25-14-15-6-4-3-5-7-15/h3-9,12-13,22H,2,10-11,14H2,1H3,(H,21,23)
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InChIKey
DWBJTMILCRPGBU-UHFFFAOYSA-N
Physicochemical Property
logP
4.0355
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
63.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 2831519
ChEMBL ID
CHEMBL1289952
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  2
1
IC50 = 21600 nM
   TI
   LI
   LO
   TS
2
IC50 = 28800 nM
   TI
   LI
   LO
   TS