Name: Tivirapine
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212713793
Cas No:137332-54-8
常用名:Tivirapine
别名:R-86183, R86183, R 86183, 8-Cl-TIBO
IUPAC:(11S)-7-chloro-11-methyl-10-(3-methylbut-2-en-1-yl)-1,3,10-triazatricyclo[6.4.1.0^{4,13}]trideca-4,6,8(13)-triene-2-thione
IUPAC:(11S)-7-chloro-11-methyl-10-(3-methylbut-2-en-1-yl)-1,3,10-triazatricyclo[6.4.1.0^{4,13}]trideca-4,6,8(13)-triene-2-thione
InChI key:ZNFFMCYSMBXZQU-NSHDSACASA-N

分子式:C16H20ClN3S
分子量:321.87
氢键供体数 (HBD):1
氢键受体数 (HBA):1
LogP:4.0774326
SMILES:C[C@H]1Cn2c3c(CN1CC=C(C)C)c(Cl)ccc3[nH]c2=S |wU:1.0,(6.61,2.95,;5.07,2.99,;4.37,1.63,;2.86,1.32,;1.68,2.32,;1.72,3.86,;2.95,4.78,;4.44,4.4,;5.43,5.58,;4.91,7.03,;5.9,8.2,;5.38,9.65,;7.42,7.93,;.27,4.58,;.2,6.12,;-1.04,3.77,;-.99,2.23,;.37,1.5,;.74,.01,;2.28,-.1,;3.09,-1.41,)|
SMILES:C[C@H]1Cn2c3c(CN1CC=C(C)C)c(Cl)ccc3[nH]c2=S |wU:1.0,(6.61,2.95,;5.07,2.99,;4.37,1.63,;2.86,1.32,;1.68,2.32,;1.72,3.86,;2.95,4.78,;4.44,4.4,;5.43,5.58,;4.91,7.03,;5.9,8.2,;5.38,9.65,;7.42,7.93,;.27,4.58,;.2,6.12,;-1.04,3.77,;-.99,2.23,;.37,1.5,;.74,.01,;2.28,-.1,;3.09,-1.41,)|

Tivirapine, a reverse transcriptase inhibitor, is used potentially for the treatment of HIV infection.

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