Name: KRAS inhibitor-34
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218909634
Cas No:3054800-66-4
常用名:KRAS inhibitor-34
IUPAC:(2Z)-1-[4-(2-{[(4aS,7aR)-1,7a-dimethyl-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methoxy}-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoroquinazolin-4-yl)piperazin-1-yl]-2-fluoro-3-(pyridin-2-yl)prop-2-en-1-one
IUPAC:(2Z)-1-[4-(2-{[(4aS,7aR)-1,7a-dimethyl-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methoxy}-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoroquinazolin-4-yl)piperazin-1-yl]-2-fluoro-3-(pyridin-2-yl)prop-2-en-1-one
InChI key:JKUYUDGAZVUCRX-KAEOAGCFSA-N

分子式:C43H41F3N6O3
分子量:746.835
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN1CCC[C@@]2(COc3nc(N4CCN(CC4)C(=O)C(\F)=C\c4ccccn4)c4ccc(c(F)c4n3)-c3cc(O)cc4ccc(F)c(C#C)c34)CCC[C@@]12C
SMILES:CN1CCC[C@@]2(COc3nc(N4CCN(CC4)C(=O)C(\F)=C\c4ccccn4)c4ccc(c(F)c4n3)-c3cc(O)cc4ccc(F)c(C#C)c34)CCC[C@@]12C

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