Name: PF-04620110
Rating: 5 (10 reviews)

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HIT ID:HIT212651508
Cas No:1109276-89-2
常用名:PF-04620110
别名:PF04620110, PF 04620110
IUPAC:2-[(1r,4r)-4-(4-{4-amino-5-oxo-5H,6H,7H,8H-pyrimido[5,4-f][1,4]oxazepin-6-yl}phenyl)cyclohexyl]acetic acid
IUPAC:2-[(1r,4r)-4-(4-{4-amino-5-oxo-5H,6H,7H,8H-pyrimido[5,4-f][1,4]oxazepin-6-yl}phenyl)cyclohexyl]acetic acid
InChI key:GEVVQZHMFVFGLN-HDJSIYSDSA-N

分子式:C21H24N4O4
分子量:396.447
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:2.9082615
SMILES:Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 |wU:16.16,wD:19.20,(2.25,-5.17,;2.25,-3.63,;.92,-2.86,;.92,-1.32,;2.25,-.55,;3.59,-1.32,;4.79,-.36,;6.29,-.7,;6.96,-2.09,;6.29,-3.48,;7.25,-4.68,;8.77,-4.45,;9.73,-5.66,;9.17,-7.09,;7.65,-7.32,;6.69,-6.11,;10.13,-8.29,;11.65,-8.06,;12.61,-9.27,;12.05,-10.7,;13.01,-11.9,;12.45,-13.34,;13.41,-14.54,;10.93,-13.57,;10.53,-10.93,;9.57,-9.73,;4.79,-3.82,;4.45,-5.32,;3.59,-2.86,)|
SMILES:Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 |wU:16.16,wD:19.20,(2.25,-5.17,;2.25,-3.63,;.92,-2.86,;.92,-1.32,;2.25,-.55,;3.59,-1.32,;4.79,-.36,;6.29,-.7,;6.96,-2.09,;6.29,-3.48,;7.25,-4.68,;8.77,-4.45,;9.73,-5.66,;9.17,-7.09,;7.65,-7.32,;6.69,-6.11,;10.13,-8.29,;11.65,-8.06,;12.61,-9.27,;12.05,-10.7,;13.01,-11.9,;12.45,-13.34,;13.41,-14.54,;10.93,-13.57,;10.53,-10.93,;9.57,-9.73,;4.79,-3.82,;4.45,-5.32,;3.59,-2.86,)|

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