Name: STING-IN-6
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217586294
Cas No:2305940-34-3
常用名:STING-IN-6
IUPAC:(2E)-1-[(2E)-4-[(2E)-5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)imino]-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl]-2,3-dimethylbut-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)imino]-7-[(3-methoxyphenyl)methoxy]-3-methyl-2,3-dihydro-1H-1,3-benzodiazole-5-carboxamide
IUPAC:(2E)-1-[(2E)-4-[(2E)-5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)imino]-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl]-2,3-dimethylbut-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)imino]-7-[(3-methoxyphenyl)methoxy]-3-methyl-2,3-dihydro-1H-1,3-benzodiazole-5-carboxamide
InChI key:DPZRWCJECJWXRN-NGWKBSCYSA-N

分子式:C46H52N12O6
分子量:869
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCn1nc(C)cc1C(=O)\N=c1/n(C)c2cc(ccc2n1C\C(C)=C(/C)Cn1c2c(OCc3cccc(OC)c3)cc(cc2n(C)\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O
SMILES:CCn1nc(C)cc1C(=O)\N=c1/n(C)c2cc(ccc2n1C\C(C)=C(/C)Cn1c2c(OCc3cccc(OC)c3)cc(cc2n(C)\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O

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