Grp94 Inhibitor-1
HIT212037378
sdf文件结构编辑类似物检索
HIT ID: HIT212037378
Cas No: 2234897-35-7
分子式: C22H28N2O2
分子量: 352.478
常用名: Grp94 Inhibitor-1
氢键受体数 (HBA): 3
氢键供体数 (HBD): 3
LogP: 4.2514505
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
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,)|
InChI key: JMGDXIHGWTVBMX-WGSAOQKQSA-N
共显示2个结果
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TargetMol
SC
1931-3天97.02% 购物车
BIONET-Key Organics
BB
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