Name: HPGDS inhibitor 2
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212037310
Cas No:2101626-26-8
常用名:HPGDS inhibitor 2
别名:GSK-2894631A
IUPAC:7-(difluoromethoxy)-N-[(1r,4r)-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
IUPAC:7-(difluoromethoxy)-N-[(1r,4r)-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
InChI key:YRWMWDLEUYLURJ-SHTZXODSSA-N

分子式:C20H24F2N2O3
分子量:378.42
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:3.3990202
SMILES:CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC(F)F)ccc2c1 |wU:7.10,wD:4.3,(-8.69,3.76,;-7.36,2.99,;-8.13,1.66,;-6.59,4.33,;-6.03,2.22,;-6.03,.68,;-4.69,-.09,;-3.36,.68,;-3.36,2.22,;-4.69,2.99,;-2.03,-.09,;-.69,.68,;-.69,2.22,;.64,-.09,;.64,-1.63,;1.98,-2.4,;3.31,-1.63,;4.64,-2.4,;5.98,-1.63,;7.31,-2.4,;7.31,-3.94,;8.64,-4.71,;5.98,-4.71,;5.98,-.09,;4.64,.68,;3.31,-.09,;1.98,.68,)|
SMILES:CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC(F)F)ccc2c1 |wU:7.10,wD:4.3,(-8.69,3.76,;-7.36,2.99,;-8.13,1.66,;-6.59,4.33,;-6.03,2.22,;-6.03,.68,;-4.69,-.09,;-3.36,.68,;-3.36,2.22,;-4.69,2.99,;-2.03,-.09,;-.69,.68,;-.69,2.22,;.64,-.09,;.64,-1.63,;1.98,-2.4,;3.31,-1.63,;4.64,-2.4,;5.98,-1.63,;7.31,-2.4,;7.31,-3.94,;8.64,-4.71,;5.98,-4.71,;5.98,-.09,;4.64,.68,;3.31,-.09,;1.98,.68,)|

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