TD-428
HIT212080529
sdf文件结构编辑类似物检索
HIT ID: HIT212080529
Cas No:
分子式: C43H43ClN10O7S
分子量: 879.39
常用名: TD-428
氢键受体数 (HBA): 13
氢键供体数 (HBD): 3
LogP: 6.3010263
IUPAC: 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]-N-(3-{2-[2-(2-{[3-(2,6-dioxopiperidin-3-yl)-4-oxo-3,4-dihydro-1,2,3-benzotriazin-5-yl]amino}ethoxy)ethoxy]ethoxy}phenyl)acetamide
IUPAC: 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]-N-(3-{2-[2-(2-{[3-(2,6-dioxopiperidin-3-yl)-4-oxo-3,4-dihydro-1,2,3-benzotriazin-5-yl]amino}ethoxy)ethoxy]ethoxy}phenyl)acetamide
SMILES: Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1cccc(OCCOCCOCCNc3cccc4nnn(C5CCC(=O)NC5=O)c(=O)c34)c1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
SMILES: Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1cccc(OCCOCCOCCNc3cccc4nnn(C5CCC(=O)NC5=O)c(=O)c34)c1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
InChI key: XEZUBGASURUNMF-CDRRMRQFSA-N
共显示1个结果
供应商规格单价货期纯度操作
TargetMol
SC
待询点击询价
TargetMol | Target Loading
正在加载 ~