General Information of the Compound
Compound ID
CP0037056
Compound Name
dihydroxy-imino-oxo-lambda6-sulfane
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Structure
Formula
H3NO3S
Molecular Weight
97.095
Canonical SMILES
NS(O)(=O)=O
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InChI
InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
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InChIKey
IIACRCGMVDHOTQ-UHFFFAOYSA-N
CAS
5329-14-6
Physicochemical Property
logP
-1.2521
Rotatable Bonds
0
Heavy Atom Count
5
Polar Areas
80.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
5

"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: 134939864
SID: 14818095
ChEMBL ID
CHEMBL68253
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: PT03381, 5'-nucleotidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 42100 nM
   TI
   LI
   LO
   TS
Protein ID: PT04712, 5'-nucleotidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 77300 nM
   TI
   LI
   LO
   TS