PROTAC SMARCA2/4-degrader-9
HIT218887251
sdf文件结构编辑类似物检索
HIT ID: HIT218887251
Cas No: 2568507-15-1
分子式: C49H59N11O5S
分子量: 914.14
常用名: PROTAC SMARCA2/4-degrader-9
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,4R)-1-[(2S)-2-{[4-(2-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyrimidin-5-yl)cyclohexyl]formamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC: (2S,4R)-1-[(2S)-2-{[4-(2-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyrimidin-5-yl)cyclohexyl]formamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CCC(CC2)c2cnc(nc2)N2C3CCC2CN(C3)c2cc(nnc2N)-c2ccccc2O)C(C)(C)C)cc1
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CCC(CC2)c2cnc(nc2)N2C3CCC2CN(C3)c2cc(nnc2N)-c2ccccc2O)C(C)(C)C)cc1
InChI key: SJPLQGPNFYKWGD-BKYHXXMZSA-N
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