Name: Dezecapavir
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218929561
Cas No:2570323-59-8
常用名:Dezecapavir
IUPAC:N-{1-[3-(4-chloro-3-methanesulfonamido-1-methyl-1H-indazol-7-yl)-4-oxo-7-(3,3,3-trifluoropropoxy)-3H,4H-pyrido[2,3-d]pyrimidin-2-yl]-2-(3,5-difluorophenyl)ethyl}-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),8-dien-7-yl]acetamide
IUPAC:N-{1-[3-(4-chloro-3-methanesulfonamido-1-methyl-1H-indazol-7-yl)-4-oxo-7-(3,3,3-trifluoropropoxy)-3H,4H-pyrido[2,3-d]pyrimidin-2-yl]-2-(3,5-difluorophenyl)ethyl}-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),8-dien-7-yl]acetamide
InChI key:JBJQTRRKPQLQQB-UHFFFAOYSA-N

分子式:C37H29ClF9N9O5S
分子量:918.19
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cn1nc(NS(C)(=O)=O)c2c(Cl)ccc(-n3c(nc4nc(OCCC(F)(F)F)ccc4c3=O)C(Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4C5CC5C(F)(F)c34)c12
SMILES:Cn1nc(NS(C)(=O)=O)c2c(Cl)ccc(-n3c(nc4nc(OCCC(F)(F)F)ccc4c3=O)C(Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4C5CC5C(F)(F)c34)c12

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