Name: RP03707
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619046
Cas No:3030493-05-8
常用名:RP03707
IUPAC:1-[6-(1-{7-[(1-{[(4-{3,8-diazabicyclo[3.2.1]octan-3-yl}-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl)oxy]methyl}cyclopropyl)methyl]-7-azaspiro[3.5]nonan-2-yl}piperidin-4-yl)-5-fluoro-1-methyl-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
IUPAC:1-[6-(1-{7-[(1-{[(4-{3,8-diazabicyclo[3.2.1]octan-3-yl}-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl)oxy]methyl}cyclopropyl)methyl]-7-azaspiro[3.5]nonan-2-yl}piperidin-4-yl)-5-fluoro-1-methyl-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
InChI key:InChIKey=PLUHAAKDSAEFSC-UHFFFAOYSA-N

分子式:C55H58F3N11O4
分子量:994.137
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cn1nc(N2CCC(=O)NC2=O)c2cc(F)c(cc12)C1CCN(CC1)C1CC2(C1)CCN(CC1(COc3nc(N4CC5CCC(C4)N5)c4cnc(c(F)c4n3)-c3cc(O)cc4ccc(F)c(C#C)c34)CC1)CC2
SMILES:Cn1nc(N2CCC(=O)NC2=O)c2cc(F)c(cc12)C1CCN(CC1)C1CC2(C1)CCN(CC1(COc3nc(N4CC5CCC(C4)N5)c4cnc(c(F)c4n3)-c3cc(O)cc4ccc(F)c(C#C)c34)CC1)CC2

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