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SARS-CoV-2-IN-82

CAT: 0931-T87361-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T87361-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
924058-34-4
Target
SARS-CoV
Related Pathways
Microbiology/Virology
Bioactivity
SARS-CoV-2-IN-82 (compound A) acts as an inhibitor of the Programmed-1 ribosomal frameshift (-1 PRF) in SARS-CoV-2 [1].
Smiles
C(C1=C2C(=C3C(=N1)C=CC=C3)C=CC=C2)N4CCCC4
Molecular Formula
C18H18N2
Molecular Weight
262.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SARS-CoV-2-IN-82
CAS Number924058-34-4
PubChem CID16369285
IUPAC Name6-(pyrrolidin-1-ylmethyl)phenanthridine
Molecular FormulaC18H18N2
Molecular Weight262.3
XLogP3.8
Topological Polar Surface Area16.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity323
SMILES
C1CCN(C1)CC2=NC3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C18H18N2/c1-2-9-16-14(7-1)15-8-3-4-10-17(15)19-18(16)13-20-11-5-6-12-20/h1-4,7-10H,5-6,11-13H2
InChIKey
JICOMUMICKFCGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SARS-CoV-2-IN-82
CAS: 924058-34-4
CID: 16369285
Formula: C18H18N2
MW: 262.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.3
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass262.146998583
Monoisotopic Mass262.146998583
Topological Polar Surface Area16.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity323
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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