General Information of the Compound
Compound ID
CP0348931
Compound Name
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide
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Structure
Formula
C12H13FN2O
Molecular Weight
220.247
Canonical SMILES
CC(=O)NCCc1c[nH]c2ccc(F)cc12
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InChI
InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
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InChIKey
UDLASALUJLTGJV-UHFFFAOYSA-N
Physicochemical Property
logP
1.9856
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
16

"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: 699127
SID: 15538441
ChEMBL ID
CHEMBL284521
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: PT05574, Palmitoleoyl-protein carboxylesterase NOTUM
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000970 HEK293S GnTI- Homo sapiens (Human)  1
1
IC50 = 37200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 37200 nM