General Information of the Compound
Compound ID
CP0376940
Compound Name
4-Amino-N-(3-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
    Show/Hide
Structure
Formula
C9H8FN5O2
Molecular Weight
237.194
Canonical SMILES
Nc1nonc1C(NO)=Nc1cccc(F)c1
    Show/Hide
InChI
InChI=1S/C9H8FN5O2/c10-5-2-1-3-6(4-5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
    Show/Hide
InChIKey
GDNWRODWALZFSQ-UHFFFAOYSA-N
Physicochemical Property
logP
0.848
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
109.56
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
17

"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: 135424940
SID: 17399048
ChEMBL ID
CHEMBL567225
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
IC50 = 270 nM
   TI
   LI
   LO
   TS