PROTAC SMARCA2 degrader-15
HIT218909524
sdf文件结构编辑类似物检索
HIT ID: HIT218909524
Cas No: 2568276-78-6
分子式: C50H61N11O5S
分子量: 928.17
常用名: PROTAC SMARCA2 degrader-15
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,4R)-1-[(2S)-3,3-dimethyl-2-{2-[(1r,4r)-4-(2-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyrimidin-5-yl)cyclohexyl]acetamido}butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC: (2S,4R)-1-[(2S)-3,3-dimethyl-2-{2-[(1r,4r)-4-(2-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyrimidin-5-yl)cyclohexyl]acetamido}butanoyl]-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)C[C@H]2CC[C@@H](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)C[C@H]2CC[C@@H](CC2)c2cnc(nc2)N2C3CCC2CN(C3)c2cc(nnc2N)-c2ccccc2O)C(C)(C)C)cc1
InChI key: FJLMAFZCCWWNOZ-ZXJGELOOSA-N
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