Name: PROTAC K-Ras Degrader-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666610
Cas No:2378258-52-5
常用名:PROTAC K-Ras Degrader-1
IUPAC:2-[(2S)-4-(2-{[(2S,4R)-4-(2-{2-[2-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}ethoxy)ethoxy]ethoxy}ethoxy)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)-1-(prop-2-enoyl)piperazin-2-yl]acetonitrile
IUPAC:2-[(2S)-4-(2-{[(2S,4R)-4-(2-{2-[2-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}ethoxy)ethoxy]ethoxy}ethoxy)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)-1-(prop-2-enoyl)piperazin-2-yl]acetonitrile
InChI key:KGFCORDWMRCVAC-VYIZRSQBSA-N

分子式:C53H62N10O10
分子量:999.139
氢键供体数 (HBD):2
氢键受体数 (HBA):17
LogP:3.6853967
SMILES:CN1C[C@@H](C[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2ccccc12)OCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
SMILES:CN1C[C@@H](C[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2ccccc12)OCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

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