Name: PROTAC BRAF-V600E degrader-1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212654007
Cas No:2417296-84-3
常用名:PROTAC BRAF-V600E degrader-1
别名:Compound 23
IUPAC:N-[3-(5-{[1-(3-{2-[2-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}ethoxy)ethoxy]ethoxy}propanoyl)piperidin-4-yl](methyl)amino}-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl)-2,4-difluorophenyl]propane-1-sulfonamide
IUPAC:N-[3-(5-{[1-(3-{2-[2-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}ethoxy)ethoxy]ethoxy}propanoyl)piperidin-4-yl](methyl)amino}-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl)-2,4-difluorophenyl]propane-1-sulfonamide
InChI key:FMUGAZVOOIUFAT-UHFFFAOYSA-N

分子式:C48H54F2N10O10S
分子量:1001.08
氢键供体数 (HBD):3
氢键受体数 (HBA):15
LogP:2.4277005
SMILES:CCCS(=O)(=O)Nc1ccc(F)c(c1F)-n1cc(-c2cncnc2)c2nc(ccc12)N(C)C1CCN(CC1)C(=O)CCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
SMILES:CCCS(=O)(=O)Nc1ccc(F)c(c1F)-n1cc(-c2cncnc2)c2nc(ccc12)N(C)C1CCN(CC1)C(=O)CCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

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