Name: Bromodomain IN-1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671130
Cas No:1914120-48-1
常用名:Bromodomain IN-1
IUPAC:3-hydroxypropyl 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]acetate
IUPAC:3-hydroxypropyl 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]acetate
InChI key:SSOICPCYGKNSNG-KRWDZBQOSA-N

分子式:C22H23ClN4O3S
分子量:458.96
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:3.5715766
SMILES:Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OCCCO)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
SMILES:Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OCCCO)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|

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