General Information of the Compound
Compound ID
CP0506998
Compound Name
N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide
    Show/Hide
Structure
Formula
C14H14FN3O3S
Molecular Weight
323.349
Canonical SMILES
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)cc1
    Show/Hide
InChI
InChI=1S/C14H14FN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19)
    Show/Hide
InChIKey
HZXFIBLTQZFSDF-UHFFFAOYSA-N
Physicochemical Property
logP
2.0895
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
87.3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 8005342
ChEMBL ID
CHEMBL3310852
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 609 nM
   TI
   LI
   LO
   TS