General Information of the Compound
Compound ID
CP0132509
Compound Name
N-(2-acetylphenyl)-2-fluorobenzamide
    Show/Hide
Structure
Formula
C15H12FNO2
Molecular Weight
257.264
Canonical SMILES
CC(=O)c1ccccc1NC(=O)c1ccccc1F
    Show/Hide
InChI
InChI=1S/C15H12FNO2/c1-10(18)11-6-3-5-9-14(11)17-15(19)12-7-2-4-8-13(12)16/h2-9H,1H3,(H,17,19)
    Show/Hide
InChIKey
AXEWCJPQBRCKEB-UHFFFAOYSA-N
Physicochemical Property
logP
3.2806
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 307364
ChEMBL ID
CHEMBL250859
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: PT03602, Shiga toxin subunit A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000057 Vero Chlorocebus sabaeus (Green monkey)  1
1
IC50 = 7700 nM
   TI
   LI
   LO
   TS