Name: MK-0557
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212971767
Cas No:328232-95-7
常用名:MK-0557
IUPAC:(1r,4r)-N-[1-(2-fluorophenyl)-1H-pyrazol-3-yl]-1'-oxo-1'H-spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-4-carboxamide
IUPAC:(1r,4r)-N-[1-(2-fluorophenyl)-1H-pyrazol-3-yl]-1'-oxo-1'H-spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-4-carboxamide
InChI key:RMYZIRFUCOMQRH-CAJLXGCNSA-N

分子式:C22H19FN4O3
分子量:406.417
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:1.972
SMILES:Fc1ccccc1-n1ccc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)n1 |wU:17.21,wD:14.14,(9.1,-7.58,;10.62,-7.8,;11.19,-9.23,;12.71,-9.46,;13.67,-8.25,;13.1,-6.82,;11.58,-6.59,;11.01,-5.16,;11.84,-3.86,;10.85,-2.68,;9.42,-3.24,;8.12,-2.42,;8.19,-.88,;9.55,-.17,;6.88,-.05,;6.95,1.48,;5.65,2.31,;4.28,1.59,;4.22,.06,;5.52,-.77,;4.19,3.13,;2.69,3.51,;2.13,4.95,;1.87,2.21,;.35,1.96,;-.18,.51,;.8,-.67,;2.32,-.42,;2.85,1.03,;9.52,-4.78,)|
SMILES:Fc1ccccc1-n1ccc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)n1 |wU:17.21,wD:14.14,(9.1,-7.58,;10.62,-7.8,;11.19,-9.23,;12.71,-9.46,;13.67,-8.25,;13.1,-6.82,;11.58,-6.59,;11.01,-5.16,;11.84,-3.86,;10.85,-2.68,;9.42,-3.24,;8.12,-2.42,;8.19,-.88,;9.55,-.17,;6.88,-.05,;6.95,1.48,;5.65,2.31,;4.28,1.59,;4.22,.06,;5.52,-.77,;4.19,3.13,;2.69,3.51,;2.13,4.95,;1.87,2.21,;.35,1.96,;-.18,.51,;.8,-.67,;2.32,-.42,;2.85,1.03,;9.52,-4.78,)|

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