Cap-dependent endonuclease-IN-3
[(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-9,12-dioxospiro[5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-11-yl]oxymethyl methyl carbonate
Molecular Identity
Cap-dependent endonuclease-IN-3
[(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-9,12-dioxospiro[5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-11-yl]oxymethyl methyl carbonate
PubChem CID: 153289974
2D Structure
Properties
C29H25F2N3O7S
Molecular Formula
597.60
Molecular Weight
g/mol
597.1381
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
123
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
12
H-Bond Acceptors
1200
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)OCOC1=C2C(=O)N3CC4(CC4)OCC3N(N2C=CC1=O)C5C6=C(CSC7=CC=CC=C57)C(=C(C=C6)F)FIsomeric SMILES
SMILES: COC(=O)OCOC1=C2C(=O)N3CC4(CC4)OC[C@H]3N(N2C=CC1=O)[C@H]5C6=C(CSC7=CC=CC=C57)C(=C(C=C6)F)FSynonyms(14)
Cap-dependent endonuclease-IN-32364589-86-4[(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-9,12-dioxospiro[5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-6,1'-cyclopropane]-11-yl]oxymethyl methyl carbonateSuraxavir Marboxilsuraxavir marboxil [INN]A72V8WPZ9Forb1685827SCHEMBL22636223EX-A15629DA-62040HY-143744CS-0374994T64213[[(12'aR)-12'-[(11S)-7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-6',8',12',12'a-tetrahydro-6',8'-dioxospiro[cyclopropane-1,3'(4'H)-[1H][1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin]-7'-yl]oxy]methyl methyl carbonate
Data from PubChem (NCBI)
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Trials and conditions connected to Cap-dependent endonuclease-IN-3
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