General Information of the Compound
Compound ID
CP0409486
Compound Name
2-[5-(2-methoxyphenyl)-1-(3-phenoxypropyl)indol-3-yl]acetamide
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Structure
Formula
C26H26N2O3
Molecular Weight
414.505
Canonical SMILES
COc1ccccc1-c1ccc2n(CCCOc3ccccc3)cc(CC(N)=O)c2c1
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InChI
InChI=1S/C26H26N2O3/c1-30-25-11-6-5-10-22(25)19-12-13-24-23(16-19)20(17-26(27)29)18-28(24)14-7-15-31-21-8-3-2-4-9-21/h2-6,8-13,16,18H,7,14-15,17H2,1H3,(H2,27,29)
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InChIKey
WABCPOCPLNPGLT-UHFFFAOYSA-N
Physicochemical Property
logP
4.8138
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 44439250
ChEMBL ID
CHEMBL239576
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: PT02363, Protein-S-isoprenylcysteine O-methyltransferase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 100000 nM
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