PROTAC BRD4-DCAF1 degrader-1
HIT218909628
sdf文件结构编辑类似物检索
HIT ID: HIT218909628
Cas No: 3036944-87-0
分子式: C60H64Cl2F2N8O9S
分子量: 1182.18
常用名: PROTAC BRD4-DCAF1 degrader-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S)-3-(3-chlorophenyl)-3-({5-[4-(1-{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}-3,6,9,12,15-pentaoxaoctadecan-18-yl)benzoyl]-4-(3,6-difluoro-2-methylphenyl)-1H-pyrrol-3-yl}formamido)propanamide
IUPAC: (3S)-3-(3-chlorophenyl)-3-({5-[4-(1-{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}-3,6,9,12,15-pentaoxaoctadecan-18-yl)benzoyl]-4-(3,6-difluoro-2-methylphenyl)-1H-pyrrol-3-yl}formamido)propanamide
SMILES: Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)NCCOCCOCCOCCOCCOCCCc1ccc(cc1)C(=O)c1[nH]cc(C(=O)N[C@@H](CC(N)=O)c3cccc(Cl)c3)c1-c1c(F)ccc(F)c1C)c1nnc(C)n-21)c1ccc(Cl)cc1
SMILES: Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)NCCOCCOCCOCCOCCOCCCc1ccc(cc1)C(=O)c1[nH]cc(C(=O)N[C@@H](CC(N)=O)c3cccc(Cl)c3)c1-c1c(F)ccc(F)c1C)c1nnc(C)n-21)c1ccc(Cl)cc1
InChI key: QMEURCSLKDQIKL-GTMCEHENSA-N
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