Name: KRAS G12D inhibitor 15
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912582
Cas No:2763155-39-9
常用名:KRAS G12D inhibitor 15
IUPAC:[(3R,7aR)-7a-{[(4-{3,8-diazabicyclo[3.2.1]octan-3-yl}-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-2-yl)oxy]methyl}-hexahydro-1H-pyrrolizin-3-yl]methyl N-hexadecyl-N-methylcarbamate
IUPAC:[(3R,7aR)-7a-{[(4-{3,8-diazabicyclo[3.2.1]octan-3-yl}-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-2-yl)oxy]methyl}-hexahydro-1H-pyrrolizin-3-yl]methyl N-hexadecyl-N-methylcarbamate
InChI key:InChIKey=JEMAATHHHQXSOT-WNBQDOJDSA-N

分子式:C53H71F2N7O5
分子量:924.192
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCCCCCCCCCCCCCCN(C)C(=O)OC[C@H]1CC[C@@]2(COc3nc(N4CC5CCC(C4)N5)c4c(OC)nc(c(F)c4n3)-c3cc(O)cc4ccc(F)c(C#C)c34)CCCN12
SMILES:CCCCCCCCCCCCCCCCN(C)C(=O)OC[C@H]1CC[C@@]2(COc3nc(N4CC5CCC(C4)N5)c4c(OC)nc(c(F)c4n3)-c3cc(O)cc4ccc(F)c(C#C)c34)CCCN12

KRAS G12D inhibitor 15 是一种有效的 KRAS G12D 抑制剂。KRAS G12D inhibitor 15 具有研究各种疾病或病症的潜力，例如癌症或癌症转移。

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