General Information of the Compound
Compound ID
CP0426952
Compound Name
2-[5-(3-fluorophenyl)-1H-indol-3-yl]acetamide
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Structure
Formula
C16H13FN2O
Molecular Weight
268.291
Canonical SMILES
NC(=O)Cc1c[nH]c2ccc(cc12)-c1cccc(F)c1
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InChI
InChI=1S/C16H13FN2O/c17-13-3-1-2-10(6-13)11-4-5-15-14(7-11)12(9-19-15)8-16(18)20/h1-7,9,19H,8H2,(H2,18,20)
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InChIKey
ZVTFOPHSFKWROP-UHFFFAOYSA-N
Physicochemical Property
logP
3.0018
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
58.88
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 44439228
ChEMBL ID
CHEMBL241488
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 = 39810.72 nM
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