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phenylarsine oxide , CAS No.P612800, Inhibitor of phosphatidylinositol 4-kinase alpha
Basic Description
Synonyms
Phenylarsineoxide | Oxophenylarsine | 0HUR2WY345 | Arzene | Phenyl arsine oxide | Phenylarsine oxide, technical grade | SCHEMBL350191 | EINECS 211-275-3 | Benzene, arsenoso- | Phenyl arsenoxide | Fenylarsinoxid [Czech] | Arsenosobenzene | DTXSID5042249 |
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of phosphatidylinositol 4-kinase alpha
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Organic metalloid salts Arsine oxides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Monocyclic benzene moiety - Oxygen-containing organoarsenic compound - Organic metalloid salt - Arsine oxide - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organoarsenic compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors
arsine oxides
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
arsorosobenzene
INCHI
InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKey
BQVCCPGCDUSGOE-UHFFFAOYSA-N
Smiles
O=[As]c1ccccc1
Isomeric SMILES
C1=CC=C(C=C1)[As]=O
PubChem CID
4778
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
168.020 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
167.956 Da
Monoisotopic Mass
167.956 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
76.600
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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