Name: PROTAC BRD4 Degrader-21
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851456
Cas No:2503036-46-0
常用名:PROTAC BRD4 Degrader-21
IUPAC:4-[4-({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]acetyl}piperidin-4-yl)methyl]piperazin-1-yl}methyl)phenyl]-3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
IUPAC:4-[4-({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]acetyl}piperidin-4-yl)methyl]piperazin-1-yl}methyl)phenyl]-3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
InChI key:BKCLODCLAKHBOU-KYYDUREMSA-N

分子式:C47H54Cl2N10O4S
分子量:925.98
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(CN3CCN(CC4CCN(CC4)C(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)CC3)cc2)c(O)cc1O
SMILES:Cl.CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(CN3CCN(CC4CCN(CC4)C(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)CC3)cc2)c(O)cc1O

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