General Information of the Compound
Compound ID
CP0357715
Compound Name
2-(3-chloro-4-fluorophenyl)imino-2-(hydroxyamino)acetamide
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Formula
C8H7ClFN3O2
Molecular Weight
231.614
Canonical SMILES
NC(=O)C(\Nc1ccc(F)c(Cl)c1)=N\O
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InChI
InChI=1S/C8H7ClFN3O2/c9-5-3-4(1-2-6(5)10)12-8(13-15)7(11)14/h1-3,15H,(H2,11,14)(H,12,13)
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InChIKey
DIQUOMVFFCHZDM-UHFFFAOYSA-N
Physicochemical Property
logP
1.164
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
87.71
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
15

"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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ChEMBL ID
CHEMBL4762797
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
CL000084 SK-OV-3 Homo sapiens (Human)  1
1
IC50 = 24000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 78000 nM