Name: AZD3988
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212669405
Cas No:892489-52-0
常用名:AZD3988
IUPAC:2-[(1r,4r)-4-(4-{5-[(3,4-difluorophenyl)amino]-1,3,4-oxadiazole-2-amido}phenyl)cyclohexyl]acetic acid
IUPAC:2-[(1r,4r)-4-(4-{5-[(3,4-difluorophenyl)amino]-1,3,4-oxadiazole-2-amido}phenyl)cyclohexyl]acetic acid
InChI key:NGEBYTLALFOQKI-HDJSIYSDSA-N

分子式:C23H22F2N4O4
分子量:456.45
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:4.36003
SMILES:OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |wU:4.3,wD:7.10,(1.53,12.98,;1.53,11.44,;2.87,10.67,;.2,10.67,;.2,9.13,;1.53,8.36,;1.53,6.82,;.2,6.05,;-1.13,6.82,;-1.13,8.36,;.2,4.51,;-1.13,3.74,;-1.13,2.2,;.2,1.43,;.2,-.11,;-1.13,-.88,;-2.47,-.11,;-1.13,-2.42,;.11,-3.33,;-.36,-4.79,;-1.9,-4.79,;-2.81,-6.04,;-2.18,-7.45,;-.65,-7.61,;-.03,-9.02,;-.93,-10.26,;-.3,-11.67,;-2.46,-10.1,;-3.37,-11.35,;-3.09,-8.69,;-2.38,-3.33,;1.53,2.2,;1.53,3.74,)|
SMILES:OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |wU:4.3,wD:7.10,(1.53,12.98,;1.53,11.44,;2.87,10.67,;.2,10.67,;.2,9.13,;1.53,8.36,;1.53,6.82,;.2,6.05,;-1.13,6.82,;-1.13,8.36,;.2,4.51,;-1.13,3.74,;-1.13,2.2,;.2,1.43,;.2,-.11,;-1.13,-.88,;-2.47,-.11,;-1.13,-2.42,;.11,-3.33,;-.36,-4.79,;-1.9,-4.79,;-2.81,-6.04,;-2.18,-7.45,;-.65,-7.61,;-.03,-9.02,;-.93,-10.26,;-.3,-11.67,;-2.46,-10.1,;-3.37,-11.35,;-3.09,-8.69,;-2.38,-3.33,;1.53,2.2,;1.53,3.74,)|

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