Name: Tecovirimat hydrate
Rating: 5 (10 reviews)

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HIT ID:HIT214318827
Cas No:1162664-19-8
常用名:Tecovirimat hydrate
别名:ST-246, ST246, ST 246, SIGA-246, SIGA246, SIGA 246
别名:ST-246, ST246, ST 246, SIGA-246, SIGA246, SIGA 246
IUPAC:N-[(1R,2R,6S,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.0^{2,6}.0^{8,10}]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide hydrate
IUPAC:N-[(1R,2R,6S,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.0^{2,6}.0^{8,10}]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide hydrate
InChI key:QRHXYGPOQKLBJP-NPIFKJBVSA-N

分子式:C19H17F3N2O4
分子量:394.35
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O.[H][C@]12C[C@@]1([H])[C@@]1([H])C=C[C@]2([H])[C@]2([H])C(=O)N(NC(=O)c3ccc(cc3)C(F)(F)F)C(=O)[C@]12[H] |c:8,TLB:3:4:32.12:8.9,THB:30:32:2.4:8.9,3:2:32.12:8.9,14:12:2.4:8.9|
SMILES:O.[H][C@]12C[C@@]1([H])[C@@]1([H])C=C[C@]2([H])[C@]2([H])C(=O)N(NC(=O)c3ccc(cc3)C(F)(F)F)C(=O)[C@]12[H] |c:8,TLB:3:4:32.12:8.9,THB:30:32:2.4:8.9,3:2:32.12:8.9,14:12:2.4:8.9|

Tecovirimat,(ST-246, SIgA-246) is an inhibitor of p37 envelope proteins used to treat smallpox infection. Tecovirimat is an antiviral drug that is active against orthopoxviruses such as smallpox and is currently undergoing clinical trials. Its role is to prevent disease by blocking the cellular transmission of the virus.

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