Name: Cabotegravir
Rating: 5 (10 reviews)

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HIT ID:HIT212023397
Cas No:1051375-10-0
常用名:Cabotegravir
别名:卡博特韦, S/GSK1265744, GSK744, GSK-1265744
IUPAC:(3R,6S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.0^{3,7}]trideca-9,12-diene-12-carboxamide
IUPAC:(3R,6S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.0^{3,7}]trideca-9,12-diene-12-carboxamide
InChI key:WCWSTNLSLKSJPK-LKFCYVNXSA-N

分子式:C19H17F2N3O5
分子量:405.358
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:1.0442924
SMILES:C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12
SMILES:C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12

Cabotegravir (S/GSK1265744) 是一种HIV 整合酶抑制剂，可研究艾滋病。它抑制OAT1 和OAT3，IC50值为 0.81 和0.41 μM。

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