KRAS inhibitor-34
HIT218909634
sdf文件结构编辑类似物检索
HIT ID: HIT218909634
Cas No: 3054800-66-4
分子式: C43H41F3N6O3
分子量: 746.835
常用名: KRAS inhibitor-34
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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
InChI key: JKUYUDGAZVUCRX-KAEOAGCFSA-N
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