Name: NVP-AEW541
Rating: 5 (10 reviews)

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HIT ID:HIT212651221
Cas No:475489-16-8
常用名:NVP-AEW541
别名:AEW541
IUPAC:5-[3-(benzyloxy)phenyl]-7-[(1s,3s)-3-[(azetidin-1-yl)methyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC:5-[3-(benzyloxy)phenyl]-7-[(1s,3s)-3-[(azetidin-1-yl)methyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
InChI key:AECDBHGVIIRMOI-GRGXKFILSA-N

分子式:C27H29N5O
分子量:439.563
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:4.4
SMILES:Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wD:24.27,26.30,(6.12,3.85,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;2.85,3.48,;1.34,3.8,;.86,5.27,;1.89,6.41,;3.4,6.09,;4.43,7.23,;3.96,8.7,;4.99,9.84,;4.51,11.31,;5.54,12.45,;7.05,12.13,;7.52,10.67,;6.49,9.52,;3.88,4.63,;4.79,1.54,;2.85,-1.94,;3.55,-3.31,;2.17,-4.01,;1.7,-5.48,;.19,-5.8,;-.65,-7.09,;-1.94,-6.25,;-1.1,-4.96,;1.47,-2.64,)|
SMILES:Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wD:24.27,26.30,(6.12,3.85,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;2.85,3.48,;1.34,3.8,;.86,5.27,;1.89,6.41,;3.4,6.09,;4.43,7.23,;3.96,8.7,;4.99,9.84,;4.51,11.31,;5.54,12.45,;7.05,12.13,;7.52,10.67,;6.49,9.52,;3.88,4.63,;4.79,1.54,;2.85,-1.94,;3.55,-3.31,;2.17,-4.01,;1.7,-5.48,;.19,-5.8,;-.65,-7.09,;-1.94,-6.25,;-1.1,-4.96,;1.47,-2.64,)|

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