Name: Grp94 Inhibitor-1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212037378
Cas No:2234897-35-7
常用名:Grp94 Inhibitor-1
IUPAC:4'-(propan-2-yl)-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}-[1,1'-biphenyl]-3-carboxamide
IUPAC:4'-(propan-2-yl)-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}-[1,1'-biphenyl]-3-carboxamide
InChI key:JMGDXIHGWTVBMX-WGSAOQKQSA-N

分子式:C22H28N2O2
分子量:352.478
氢键供体数 (HBD):3
氢键受体数 (HBA):3
LogP:4.2514505
SMILES:CC(C)c1ccc(cc1)-c1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |wU:17.18,wD:14.14,(-6.1,-5.6,;-6.1,-4.06,;-7.44,-3.29,;-4.77,-3.29,;-3.44,-4.06,;-2.1,-3.29,;-2.1,-1.75,;-3.44,-.98,;-4.77,-1.75,;-.77,-.98,;-.77,.56,;.56,1.33,;1.9,.56,;3.23,1.33,;3.23,2.87,;4.57,3.64,;4.57,5.18,;3.23,5.95,;3.23,7.49,;1.9,5.18,;1.9,3.64,;1.9,-.98,;.56,-1.75,;3.23,-1.75,;3.23,-3.29,;4.57,-.98,)|
SMILES:CC(C)c1ccc(cc1)-c1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |wU:17.18,wD:14.14,(-6.1,-5.6,;-6.1,-4.06,;-7.44,-3.29,;-4.77,-3.29,;-3.44,-4.06,;-2.1,-3.29,;-2.1,-1.75,;-3.44,-.98,;-4.77,-1.75,;-.77,-.98,;-.77,.56,;.56,1.33,;1.9,.56,;3.23,1.33,;3.23,2.87,;4.57,3.64,;4.57,5.18,;3.23,5.95,;3.23,7.49,;1.9,5.18,;1.9,3.64,;1.9,-.98,;.56,-1.75,;3.23,-1.75,;3.23,-3.29,;4.57,-.98,)|

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