Cap-dependent endonuclease-IN-15
[(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzoselenepin-11-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate
Molecular Identity
Cap-dependent endonuclease-IN-15
[(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzoselenepin-11-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate
PubChem CID: 163196322
2D Structure
Properties
C27H23F2N3O7Se
Molecular Formula
618.50
Molecular Weight
g/mol
619.0669
Exact Mass
Da
97.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
11
H-Bond Acceptors
1090
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)OCOC1=C2C(=O)N3CCOCC3N(N2C=CC1=O)C4C5=C(C[Se]C6=CC=CC=C46)C(=C(C=C5)F)FIsomeric SMILES
SMILES: COC(=O)OCOC1=C2C(=O)N3CCOC[C@H]3N(N2C=CC1=O)[C@H]4C5=C(C[Se]C6=CC=CC=C46)C(=C(C=C5)F)FSynonyms(14)
Cap-dependent endonuclease-IN-152581298-44-2[(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzoselenepin-11-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonateCarbonic acid, [[(12aR)-12-[(11S)-7,8-difluoro-6,11-dihydrodibenzo[b,e]selenepin-11-yl]-3,4,6,8,12,12a-hexahydro-6,8-dioxo-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin-7-yl]oxy]methyl methyl esterSebaloxavir MarboxilN89ENH3CTUsebaloxavir marboxil [INN]orb1745117SCHEMBL29477181DA-71908HY-143769CS-0375144[[(12aR)-12-[(11S)-7,8-Difluoro-6,11-dihydrodibenzo[b,e]selenepin-11-yl]-3,4,6,8,12,12a-hexahydro-6,8-dioxo-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin-7-yl]oxy]methyl methyl carbonate{(12aR)-12-[(11S)-7,8-difluoro-6,11-dihydrodibenzo[b,e]selenepin-11-yl]-6,8-dioxo-3,4,6,8,12,12a-hexahydro-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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Drug Network
Trials and conditions connected to Cap-dependent endonuclease-IN-15
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