Name: JAK-IN-17
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912542
Cas No:
常用名:JAK-IN-17
IUPAC:(2R,3R)-2,3-dihydroxy-4-oxopentanoic acid; 1-{2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-2-[(2S)-2-methylmorpholin-4-yl]ethan-1-one
IUPAC:(2R,3R)-2,3-dihydroxy-4-oxopentanoic acid; 1-{2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-2-[(2S)-2-methylmorpholin-4-yl]ethan-1-one
InChI key:InChIKey=XAXNZIOYLCPZFQ-REIMTZFJSA-N

分子式:C33H38F2N6O8
分子量:684.698
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=O)[C@H](O)[C@@H](O)C(O)=O.CCc1cc(O)c(F)cc1-c1cc(F)c2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(=O)CN1CCO[C@@H](C)C1
SMILES:CC(=O)[C@H](O)[C@@H](O)C(O)=O.CCc1cc(O)c(F)cc1-c1cc(F)c2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(=O)CN1CCO[C@@H](C)C1

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