Name: TAS-117
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212680583
Cas No:1402602-94-1
常用名:TAS-117
别名:TAS117, TAS 117
IUPAC:(1r,3s)-3-amino-1-methyl-3-(4-{5-phenyl-8-oxa-3,6,12-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2,4,9,11-pentaen-4-yl}phenyl)cyclobutan-1-ol
IUPAC:(1r,3s)-3-amino-1-methyl-3-(4-{5-phenyl-8-oxa-3,6,12-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2,4,9,11-pentaen-4-yl}phenyl)cyclobutan-1-ol
InChI key:AIFGVDXMHWGOGJ-DIVCQZSQSA-N

分子式:C26H24N4O2
分子量:424.504
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:2.974697
SMILES:C[C@@]1(O)C[C@@](N)(C1)c1ccc(cc1)-c1nc2-c3cnccc3OCn2c1-c1ccccc1 |wU:1.1,4.7,wD:1.0,4.4,(-3.1,-8.41,;-1.79,-7.6,;-.97,-8.9,;-.48,-6.78,;-1.29,-5.48,;-2.1,-4.17,;-2.6,-6.29,;.02,-4.66,;-.03,-3.12,;1.28,-2.31,;2.64,-3.04,;2.69,-4.58,;1.38,-5.39,;3.95,-2.23,;5.37,-2.81,;6.37,-1.64,;7.91,-1.59,;8.72,-2.9,;10.26,-2.85,;10.99,-1.49,;10.17,-.18,;8.63,-.23,;7.82,1.08,;6.28,1.03,;5.56,-.33,;4.06,-.69,;2.88,.3,;1.44,-.22,;.26,.77,;.53,2.29,;1.98,2.81,;3.16,1.82,)|
SMILES:C[C@@]1(O)C[C@@](N)(C1)c1ccc(cc1)-c1nc2-c3cnccc3OCn2c1-c1ccccc1 |wU:1.1,4.7,wD:1.0,4.4,(-3.1,-8.41,;-1.79,-7.6,;-.97,-8.9,;-.48,-6.78,;-1.29,-5.48,;-2.1,-4.17,;-2.6,-6.29,;.02,-4.66,;-.03,-3.12,;1.28,-2.31,;2.64,-3.04,;2.69,-4.58,;1.38,-5.39,;3.95,-2.23,;5.37,-2.81,;6.37,-1.64,;7.91,-1.59,;8.72,-2.9,;10.26,-2.85,;10.99,-1.49,;10.17,-.18,;8.63,-.23,;7.82,1.08,;6.28,1.03,;5.56,-.33,;4.06,-.69,;2.88,.3,;1.44,-.22,;.26,.77,;.53,2.29,;1.98,2.81,;3.16,1.82,)|

TAS-117, a PKB/Akt inhibitor, is used potentially for the treatment of solid tumors.

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