PROTAC BRD4 Degrader-20 | CAS 2086300-61-8

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HIT ID:HIT218848784
Cas No:2086300-61-8
常用名:PROTAC BRD4 Degrader-20
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-({5-[(1s,3s)-3-{2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamido}cyclobutoxy]-1-benzofuran-2-yl}formamido)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-({5-[(1s,3s)-3-{2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamido}cyclobutoxy]-1-benzofuran-2-yl}formamido)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
InChI key:RCXAXCWURZBBTC-MTIRAMPCSA-N

分子式:C55H58ClN9O7S2
分子量:1056.7
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)c1cc2cc(O[C@@H]3C[C@@H](C3)NC(=O)C[C@@H]3N=C(c4c(C)c(C)sc4-n4c(C)nnc34)c3ccc(Cl)cc3)ccc2o1)C(C)(C)C)c1ccc(cc1)-c1scnc1C
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)c1cc2cc(O[C@@H]3C[C@@H](C3)NC(=O)C[C@@H]3N=C(c4c(C)c(C)sc4-n4c(C)nnc34)c3ccc(Cl)cc3)ccc2o1)C(C)(C)C)c1ccc(cc1)-c1scnc1C

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