Name: PROTAC BRD4 Degrader-19
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218850685
Cas No:2684292-71-3
常用名:PROTAC BRD4 Degrader-19
IUPAC:methyl 2-[(9S)-7-{4'-[({4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl}methyl)carbamoyl]-[1,1'-biphenyl]-4-yl}-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]acetate
IUPAC:methyl 2-[(9S)-7-{4'-[({4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl}methyl)carbamoyl]-[1,1'-biphenyl]-4-yl}-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]acetate
InChI key:HHSZFSOLNUHGMP-BHVANESWSA-N

分子式:C44H38N8O5S2
分子量:822.96
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(cc1)-c1ccc(cc1)C(=O)NCc1ccc(cc1)S(=O)(=O)Nc1ccc(C)c2c(c[nH]c12)C#N
SMILES:COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(cc1)-c1ccc(cc1)C(=O)NCc1ccc(cc1)S(=O)(=O)Nc1ccc(C)c2c(c[nH]c12)C#N

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