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MERS-CoV-IN-1

CAT: 0931-T9614-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T9614-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2245697-92-9
Target
SARS-CoV
Related Pathways
Microbiology/Virology
Purity
0.9975
Bioactivity
MERS-CoV-IN-1 exhibits excellent inhibitory activity against coronavirus and is useful as a pharmaceutical composition for preventing coronavirus-induced diseases (MERS-CoV and SARS) .
Smiles
Nc1ccccc1COc1ccc(Oc2ccccc2)cc1
Molecular Formula
C19H17NO2
Molecular Weight
291.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
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