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WIN 54954

CAT: 0931-T61652-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T61652-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107355-45-3
Target
Antiviral, Virus Protease
Related Pathways
Microbiology/Virology, Immunology/Inflammation
Purity
0.9898
Bioactivity
WIN 54954 is an orally available antiviral agent that inhibits Coxsackievirus and inhibits viral translation or transcription.WIN 54954 may be useful in the study of small ribonucleic acid virus infections.
Smiles
Cc1cc(CCCCCOc2c(Cl)cc(cc2Cl)C2=NCCO2)on1
Molecular Formula
C18H20Cl2N2O3
Molecular Weight
383.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Win 54954

WIN54954 is an aromatic ether.

CAS Number107355-45-3
PubChem CID441048
IUPAC Name5-[5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.3
XLogP4.6
Topological Polar Surface Area56.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity440
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2Cl)C3=NCCO3)Cl
InChI
InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3
InChIKey
JJDHAOLOHQTGMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Win 54954
CAS: 107355-45-3
CID: 441048
Formula: C18H20Cl2N2O3
MW: 383.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass382.0850979
Monoisotopic Mass382.0850979
Topological Polar Surface Area56.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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