MCL-1/BCL-2-IN-1
HIT212673222
sdf文件结构编辑类似物检索
HIT ID: HIT212673222
Cas No: 2493256-46-3
分子式: C31H27BrN2O3S
分子量: 587.53
常用名: MCL-1/BCL-2-IN-1
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 7.2851715
IUPAC: N-(2-{8-[(4-bromophenyl)sulfanyl]-2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)-4-tert-butylbenzamide
IUPAC: N-(2-{8-[(4-bromophenyl)sulfanyl]-2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)-4-tert-butylbenzamide
SMILES: CC(C)(C)c1ccc(cc1)C(=O)NCCN1C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc(C1=O)c23
SMILES: CC(C)(C)c1ccc(cc1)C(=O)NCCN1C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc(C1=O)c23
InChI key: FDTLPRMIVMUNSD-UHFFFAOYSA-N
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