Name: WEE1-IN-6
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849101
Cas No:2928524-08-5
常用名:WEE1-IN-6
IUPAC:3-({4-[4-({4-[4-({1-[(7R)-7-ethyl-7-hydroxy-5H,6H,7H-cyclopenta[b]pyridin-2-yl]-3-oxo-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)phenyl]piperazin-1-yl}methyl)piperidin-1-yl]-3-fluorophenyl}amino)piperidine-2,6-dione
IUPAC:3-({4-[4-({4-[4-({1-[(7R)-7-ethyl-7-hydroxy-5H,6H,7H-cyclopenta[b]pyridin-2-yl]-3-oxo-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)phenyl]piperazin-1-yl}methyl)piperidin-1-yl]-3-fluorophenyl}amino)piperidine-2,6-dione
InChI key:CAYRPQWWJKJLCB-UMZZRWAOSA-N

分子式:C45H52FN11O4
分子量:829.982
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC4CCN(CC4)c4ccc(NC5CCC(=O)NC5=O)cc4F)CC3)nc12
SMILES:CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC4CCN(CC4)c4ccc(NC5CCC(=O)NC5=O)cc4F)CC3)nc12

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