General Information of the Compound
Compound ID
CP0301242
Compound Name
4-Amino-N'-hydroxy-N-phenyl-1,2,5-oxadiazole-3-carboximidamide
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Structure
Formula
C9H9N5O2
Molecular Weight
219.204
Canonical SMILES
Nc1nonc1C(NO)=Nc1ccccc1
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InChI
InChI=1S/C9H9N5O2/c10-8-7(13-16-14-8)9(12-15)11-6-4-2-1-3-5-6/h1-5,15H,(H2,10,14)(H,11,12)
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InChIKey
BOACWWQRUZPMQY-UHFFFAOYSA-N
Physicochemical Property
logP
0.7089
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
109.56
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
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: 555630
SID: 17430654
ChEMBL ID
CHEMBL577494
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 = 490 nM
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