Name: G-5555
Rating: 5 (10 reviews)

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HIT ID:HIT212670208
Cas No:1648863-90-4
常用名:G-5555
IUPAC:6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)-8-{[(2r,5r)-5-amino-1,3-dioxan-2-yl]methyl}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
IUPAC:6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)-8-{[(2r,5r)-5-amino-1,3-dioxan-2-yl]methyl}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
InChI key:ZBCMHWUFWQFPLV-VVOJOOEHSA-N

分子式:C25H25ClN6O3
分子量:492.96
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:2.825811
SMILES:CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |wU:29.31,wD:26.27,(8,-4.62,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-1.33,-.77,;-1.33,-2.31,;-4,2.31,;-4,3.85,;-5.33,4.62,;-6.67,3.85,;-6.67,2.31,;-8,1.54,;-5.33,1.54,;1.33,-2.31,;,-3.08,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;-1.33,-6.93,;-2.67,-7.7,;,-7.7,;1.33,-6.93,;4,-2.31,;5.33,-3.08,)|
SMILES:CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |wU:29.31,wD:26.27,(8,-4.62,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-1.33,-.77,;-1.33,-2.31,;-4,2.31,;-4,3.85,;-5.33,4.62,;-6.67,3.85,;-6.67,2.31,;-8,1.54,;-5.33,1.54,;1.33,-2.31,;,-3.08,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;-1.33,-6.93,;-2.67,-7.7,;,-7.7,;1.33,-6.93,;4,-2.31,;5.33,-3.08,)|

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