Name: Tulmimetostat
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT214323582
Cas No:2567686-02-4
常用名:Tulmimetostat
别名:CPI-0209
IUPAC:(2R)-7-chloro-2,4-dimethyl-N-{[6-methyl-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridin-3-yl]methyl}-2-[(1r,4R)-4-(3-methoxyazetidin-1-yl)cyclohexyl]-2H-1,3-benzodioxole-5-carboxamide
IUPAC:(2R)-7-chloro-2,4-dimethyl-N-{[6-methyl-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridin-3-yl]methyl}-2-[(1r,4R)-4-(3-methoxyazetidin-1-yl)cyclohexyl]-2H-1,3-benzodioxole-5-carboxamide
InChI key:CAAWBLRXQXMGHV-JAGNJQOISA-N

分子式:C28H36ClN3O5S
分子量:562.12
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@H](CC1)N1CC(C1)OC)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(SC)cc(C)[nH]c1=O |wU:4.7,1.0,wD:13.15,1.14,(-2.05,-.74,;-3.51,-.26,;-4.98,.22,;-6.12,-.81,;-5.8,-2.32,;-4.34,-2.8,;-3.19,-1.77,;-6.95,-3.35,;-7.03,-4.89,;-8.57,-4.81,;-8.49,-3.27,;-9.71,-5.84,;-11.18,-5.36,;-2.37,.77,;-3.51,1.8,;-1.46,2.02,;,1.54,;;-1.46,-.48,;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;6.67,-6.93,;5.33,-7.7,;5.33,-9.24,;4,-6.93,;4,-5.39,;2.67,-4.62,)|
SMILES:[H][C@@]1(CC[C@@H](CC1)N1CC(C1)OC)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(SC)cc(C)[nH]c1=O |wU:4.7,1.0,wD:13.15,1.14,(-2.05,-.74,;-3.51,-.26,;-4.98,.22,;-6.12,-.81,;-5.8,-2.32,;-4.34,-2.8,;-3.19,-1.77,;-6.95,-3.35,;-7.03,-4.89,;-8.57,-4.81,;-8.49,-3.27,;-9.71,-5.84,;-11.18,-5.36,;-2.37,.77,;-3.51,1.8,;-1.46,2.02,;,1.54,;;-1.46,-.48,;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;4,-.77,;5.33,,;4,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;6.67,-6.93,;5.33,-7.7,;5.33,-9.24,;4,-6.93,;4,-5.39,;2.67,-4.62,)|

Tulmimetostat (CPI-0209) 是一种具有口服活性的 EZH1/EZH2 抑制剂。Tulmimetostat 有抗肿瘤活性，用于研究卵巢癌和晚期实体瘤。

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