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Verification code

PF-00835231

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Category SARS-CoV
CAS 870153-29-0
Description PF-00835231 is a SARS-CoV-2 3CLpro inhibitor that has the potential as the treatment for COVID-19.
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Product Information

Synonyms PF 00835231; PF00835231
IUPAC Name N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Molecular Weight 472.53
Molecular Formula C24H32N4O6
Canonical SMILES CC(C)CC(C(=O)NC(CC1CCNC1=O)C(=O)CO)NC(=O)C2=CC3=C(N2)C=CC=C3OC
InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
InChIKey QDIMHKWNHMVDJB-WBAXXEDZSA-N
Purity 98.58%
Solubility In vitro:
10 mM in DMSO
Appearance White to off-white (Solid)
Storage Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Complexity 760
Exact Mass 472.23218475
Target SARS-CoV
XLogP3-AA 1.6

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