AZD3988
HIT212669405
sdf文件结构编辑类似物检索
HIT ID: HIT212669405
Cas No: 892489-52-0
分子式: C23H22F2N4O4
分子量: 456.45
常用名: AZD3988
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 4.36003
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
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,)|
InChI key: NGEBYTLALFOQKI-HDJSIYSDSA-N
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TargetMol
SC
4451-3天 购物车
Mcule
SC
8234-5周 购物车
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