STING agonist-20
HIT217587504
sdf文件结构编辑类似物检索
HIT ID: HIT217587504
Cas No: 2591300-72-8
分子式: C36H39N11O8
分子量: 753.777
常用名: STING agonist-20
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[(2E)-4-[6-carbamoyl-2-(4-ethyl-2-methyl-1,3-oxazole-5-amido)-3H-imidazo[4,5-b]pyridin-3-yl]but-2-en-1-yl]-2-(4-ethyl-2-methyl-1,3-oxazole-5-amido)-7-(3-hydroxypropoxy)-1H-1,3-benzodiazole-5-carboxamide
IUPAC: 1-[(2E)-4-[6-carbamoyl-2-(4-ethyl-2-methyl-1,3-oxazole-5-amido)-3H-imidazo[4,5-b]pyridin-3-yl]but-2-en-1-yl]-2-(4-ethyl-2-methyl-1,3-oxazole-5-amido)-7-(3-hydroxypropoxy)-1H-1,3-benzodiazole-5-carboxamide
SMILES: CCc1nc(C)oc1C(=O)Nc1nc2cc(cnc2n1C\C=C\Cn1c(NC(=O)c2oc(C)nc2CC)nc2cc(cc(OCCCO)c12)C(N)=O)C(N)=O
SMILES: CCc1nc(C)oc1C(=O)Nc1nc2cc(cnc2n1C\C=C\Cn1c(NC(=O)c2oc(C)nc2CC)nc2cc(cc(OCCCO)c12)C(N)=O)C(N)=O
InChI key: BSDFGBNCRMMRDC-BQYQJAHWSA-N
共显示1个结果
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