Name: PROTAC SMARCA2/4-degrader-35
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218929788
Cas No:2933253-85-9
常用名:PROTAC SMARCA2/4-degrader-35
IUPAC:(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(1-methyl-1H-pyrazol-5-yl)phenyl]ethyl]-1-[(2R)-3-methyl-2-{3-[4-({4-[(1r,3r)-3-({4-[7-amino-2-(2-hydroxyphenyl)imidazo[1,2-a]pyrimidin-6-yl]-1H-pyrazol-1-yl}methyl)cyclobutoxy]piperidin-1-yl}methyl)piperidin-1-yl]-1,2-oxazol-5-yl}butanoyl]pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(1-methyl-1H-pyrazol-5-yl)phenyl]ethyl]-1-[(2R)-3-methyl-2-{3-[4-({4-[(1r,3r)-3-({4-[7-amino-2-(2-hydroxyphenyl)imidazo[1,2-a]pyrimidin-6-yl]-1H-pyrazol-1-yl}methyl)cyclobutoxy]piperidin-1-yl}methyl)piperidin-1-yl]-1,2-oxazol-5-yl}butanoyl]pyrrolidine-2-carboxamide
InChI key:SRUPBJDHTMLIED-WLUQZSSUSA-N

分子式:C56H69N13O6
分子量:1020.253
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(cc1)-c1ccnn1C)c1cc(no1)N1CCC(CN2CCC(CC2)O[C@H]2C[C@H](Cn3cc(cn3)-c3cn4cc(nc4nc3N)-c3ccccc3O)C2)CC1
SMILES:CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1ccnn1C)c1cc(no1)N1CCC(CN2CCC(CC2)O[C@H]2C[C@H](Cn3cc(cn3)-c3cn4cc(nc4nc3N)-c3ccccc3O)C2)CC1

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