General Information of the Compound
Compound ID
CP0508105
Compound Name
2-(1-octyl-1H-indol-3-yl)acetamide
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Structure
Formula
C18H26N2O
Molecular Weight
286.419
Canonical SMILES
CCCCCCCCn1cc(CC(N)=O)c2ccccc12
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InChI
InChI=1S/C18H26N2O/c1-2-3-4-5-6-9-12-20-14-15(13-18(19)21)16-10-7-8-11-17(16)20/h7-8,10-11,14H,2-6,9,12-13H2,1H3,(H2,19,21)
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InChIKey
FEQUBCIBSKCHNA-UHFFFAOYSA-N
Physicochemical Property
logP
4.0296
Rotatable Bonds
9
Heavy Atom Count
21
Polar Areas
48.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 49782772
SID: 103055298
ChEMBL ID
CHEMBL1257979
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 = 6500 nM
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   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000111 MDA-MB-231 Homo sapiens (Human)  1
1
IC50 = 50000 nM
   TI
   LI
   LO
   TS