Name: SEN461
Rating: 5 (10 reviews)

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HIT ID:HIT212710368
Cas No:1287727-28-9
常用名:SEN461
别名:SEN-461, SEN 461
IUPAC:6-methoxy-1-methyl-3-{[(1r,4r)-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
IUPAC:6-methoxy-1-methyl-3-{[(1r,4r)-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
InChI key:CYIHQUXKBWFESS-IYARVYRRSA-N

分子式:C25H34N4O6
分子量:486.569
氢键供体数 (HBD):0
氢键受体数 (HBA):6
LogP:0.5543481
SMILES:COCC(=O)N1CCN(CC1)C(=O)[C@H]1CC[C@H](Cn2c(=O)n(C)c3ccc(OC)cc3c2=O)CC1 |wU:16.17,wD:13.13,(-14.67,3.85,;-14.67,2.31,;-13.34,1.54,;-13.34,,;-14.67,-.77,;-12,-.77,;-12,-2.31,;-10.67,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,,;-8,-3.08,;-8,-4.62,;-6.67,-2.31,;-5.33,-3.08,;-4,-2.31,;-4,-.77,;-2.67,,;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;,-4.62,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;5.33,,;6.67,-.77,;2.67,,;1.33,-.77,;;,1.54,;-5.33,,;-6.67,-.77,)|
SMILES:COCC(=O)N1CCN(CC1)C(=O)[C@H]1CC[C@H](Cn2c(=O)n(C)c3ccc(OC)cc3c2=O)CC1 |wU:16.17,wD:13.13,(-14.67,3.85,;-14.67,2.31,;-13.34,1.54,;-13.34,,;-14.67,-.77,;-12,-.77,;-12,-2.31,;-10.67,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,,;-8,-3.08,;-8,-4.62,;-6.67,-2.31,;-5.33,-3.08,;-4,-2.31,;-4,-.77,;-2.67,,;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;,-4.62,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;5.33,,;6.67,-.77,;2.67,,;1.33,-.77,;;,1.54,;-5.33,,;-6.67,-.77,)|

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