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SARS-CoV-2-IN-18

CAT: 0931-T60962-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60962-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
184904-82-3
Target
Others, SARS-CoV
Related Pathways
Others, Microbiology/Virology
Bioactivity
SARS-CoV-2-IN-18 (Compound 26) is a powerful inhibitor of the SARS-CoV-2 3C-like protease, with an IC50 of 45 nM [1].
Smiles
C(N1C=2C(C(=O)C1=O)=CC(C(N)=O)=CC2)C3=CC4=C(C=C3)C=CC=C4
Molecular Formula
C20H14N2O3
Molecular Weight
330.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(Naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide

1-(2-Naphthylmethyl)-2,3-dioxo-indoline-5-carboxamide is an indolecarboxamide. It has a role as an anticoronaviral agent.

CAS Number184904-82-3
PubChem CID515964
IUPAC Name1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide
Molecular FormulaC20H14N2O3
Molecular Weight330.3
XLogP2.5
Topological Polar Surface Area80.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity575
SMILES
C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C=C(C=C4)C(=O)N)C(=O)C3=O
InChI
InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)
InChIKey
NTNYHMJYSGPGCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide
CAS: 184904-82-3
CID: 515964
Formula: C20H14N2O3
MW: 330.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.3
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass330.10044231
Monoisotopic Mass330.10044231
Topological Polar Surface Area80.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity575
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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