Name: PROTAC SMARCA2 degrader-27
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218929704
Cas No:2410314-57-5
常用名:PROTAC SMARCA2 degrader-27
IUPAC:(2S,4R)-N-[(1S)-1-(4-cyano-3-fluorophenyl)ethyl]-4-hydroxy-1-[(2R)-3-methyl-2-{3-[4-({4-[(1r,3r)-3-[(4-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyridin-2-yl)oxy]cyclobutoxy]piperidin-1-yl}methyl)piperidin-1-yl]-1,2-oxazol-5-yl}butanoyl]pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-N-[(1S)-1-(4-cyano-3-fluorophenyl)ethyl]-4-hydroxy-1-[(2R)-3-methyl-2-{3-[4-({4-[(1r,3r)-3-[(4-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyridin-2-yl)oxy]cyclobutoxy]piperidin-1-yl}methyl)piperidin-1-yl]-1,2-oxazol-5-yl}butanoyl]pyrrolidine-2-carboxamide
InChI key:DODCEQXYJKRLRX-WJDVVLBVSA-N

分子式:C58H71FN12O7
分子量:1067.281
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(C#N)c(F)c1)c1cc(no1)N1CCC(CN2CCC(CC2)O[C@H]2C[C@@H](C2)Oc2cc(ccn2)N2C3CCC2CN(C3)c2cc(nnc2N)-c2ccccc2O)CC1
SMILES:CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(C#N)c(F)c1)c1cc(no1)N1CCC(CN2CCC(CC2)O[C@H]2C[C@@H](C2)Oc2cc(ccn2)N2C3CCC2CN(C3)c2cc(nnc2N)-c2ccccc2O)CC1

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