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MERS-CoV-IN-1

CAT: 1410-M28802-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M28802-01Size:5 mg
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Description
MERS-CoV-IN-1 exhibits excellent inhibitory activity against coronavirus.It is useful as a pharmaceutical composition for preventing coronavirus-induced diseases (MERS-CoV and SARS) .
CAS Number
2245697-92-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
291.34
Molecular Formula
C19H17NO2
Notes
Research use only, not for human use.
Receptor
CYP2D6

Chemical Information

MERS-CoV-IN-1
CAS Number2245697-92-9
PubChem CID142435957
IUPAC Name2-[(4-phenoxyphenoxy)methyl]aniline
Molecular FormulaC19H17NO2
Molecular Weight291.3
XLogP4.2
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity309
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)OCC3=CC=CC=C3N
InChI
InChI=1S/C19H17NO2/c20-19-9-5-4-6-15(19)14-21-16-10-12-18(13-11-16)22-17-7-2-1-3-8-17/h1-13H,14,20H2
InChIKey
OQSQUIZZPAFLIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MERS-CoV-IN-1
CAS: 2245697-92-9
CID: 142435957
Formula: C19H17NO2
MW: 291.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.3
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass291.125928785
Monoisotopic Mass291.125928785
Topological Polar Surface Area44.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity309
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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