HIT ID: HIT218909521
Cas No: 2568523-72-6
分子式: C56H70N12O5S
分子量: 1023.32
常用名: PROTAC SMARCA2 degrader-6
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-{2-[(6-{[4-(2-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyrimidin-5-yl)piperidin-1-yl]methyl}spiro[3.3]heptan-2-yl)formamido]-3,3-dimethylbutanoyl}-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC: 1-{2-[(6-{[4-(2-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyrimidin-5-yl)piperidin-1-yl]methyl}spiro[3.3]heptan-2-yl)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)C2CC(O)CN2C(=O)C(NC(=O)C2CC3(CC(CN4CCC(CC4)c4cnc(nc4)N4C5CCC4CN(C5)c4cc(nnc4N)-c4ccccc4O)C3)C2)C(C)(C)C)cc1
SMILES: Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2CC3(CC(CN4CCC(CC4)c4cnc(nc4)N4C5CCC4CN(C5)c4cc(nnc4N)-c4ccccc4O)C3)C2)C(C)(C)C)cc1
InChI key: UEPPXXSTXCINPY-UHFFFAOYSA-N
