Fostemsavir Tris
HIT212659723
sdf文件结构编辑类似物检索
HIT ID: HIT212659723
Cas No: 864953-39-9
分子式: C29H37N8O11P
分子量: 704.634
常用名: Fostemsavir Tris
氢键受体数 (HBA): 10
氢键供体数 (HBD): 2
LogP: -0.18112114
IUPAC: ({3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl}methoxy)phosphonic acid; 2-amino-2-(hydroxymethyl)propane-1,3-diol
IUPAC: ({3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl}methoxy)phosphonic acid; 2-amino-2-(hydroxymethyl)propane-1,3-diol
SMILES: NC(CO)(CO)CO.COc1cnc(-n2cnc(C)n2)c2n(COP(O)(O)=O)cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12
SMILES: NC(CO)(CO)CO.COc1cnc(-n2cnc(C)n2)c2n(COP(O)(O)=O)cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12
InChI key: RRGJSMBMTOKHTE-UHFFFAOYSA-N
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