Name: RK-20448
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212080396
Cas No:479501-40-1
常用名:RK-20448
IUPAC:5-(4-phenoxyphenyl)-7-[(1s,4s)-4-(4-methylpiperazin-1-yl)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC:5-(4-phenoxyphenyl)-7-[(1s,4s)-4-(4-methylpiperazin-1-yl)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
InChI key:FDVSOQRNTAPCHB-ZRZAMGCNSA-N

分子式:C29H34N6O
分子量:482.632
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:4.621098
SMILES:CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |wD:10.14,7.7,(-3.02,-11.6,;-2.54,-10.13,;-1.04,-9.81,;-.56,-8.35,;-1.59,-7.21,;-3.1,-7.53,;-3.57,-8.99,;-1.11,-5.74,;.39,-5.42,;.87,-3.96,;-.16,-2.81,;-1.67,-3.13,;-2.14,-4.6,;.31,-1.35,;-.59,-.1,;.31,1.15,;-.16,2.61,;-1.67,2.93,;-2.14,4.39,;-1.11,5.54,;-1.59,7,;-.56,8.15,;-1.04,9.61,;-0,10.76,;1.5,10.44,;1.98,8.97,;.95,7.83,;.39,5.22,;.87,3.75,;1.78,.67,;3.11,1.44,;3.11,2.98,;4.45,.67,;4.45,-.87,;3.11,-1.64,;1.78,-.87,)|
SMILES:CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |wD:10.14,7.7,(-3.02,-11.6,;-2.54,-10.13,;-1.04,-9.81,;-.56,-8.35,;-1.59,-7.21,;-3.1,-7.53,;-3.57,-8.99,;-1.11,-5.74,;.39,-5.42,;.87,-3.96,;-.16,-2.81,;-1.67,-3.13,;-2.14,-4.6,;.31,-1.35,;-.59,-.1,;.31,1.15,;-.16,2.61,;-1.67,2.93,;-2.14,4.39,;-1.11,5.54,;-1.59,7,;-.56,8.15,;-1.04,9.61,;-0,10.76,;1.5,10.44,;1.98,8.97,;.95,7.83,;.39,5.22,;.87,3.75,;1.78,.67,;3.11,1.44,;3.11,2.98,;4.45,.67,;4.45,-.87,;3.11,-1.64,;1.78,-.87,)|

RK-20448 is an ATP-competitive inhibitor of Lck, Src, KDR/VEGF2R, and Tie-2. It also inhibits BLK, Csk, Fyn, and Lyn. RK-20448 is the cis isomer of A-419259

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