General Information of the Compound
| Compound ID |
CP0927012
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| Compound Name |
{3-[3-(tert-Butyl-dimethyl-silanyloxy)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl]-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-acetic acid benzyl ester
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| Structure |
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| Formula |
C25H36N2O8Si
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| Molecular Weight |
520.655
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| Canonical SMILES |
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O
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| InChI |
InChI=1S/C25H36N2O8Si/c1-16-12-27(23-21(20(30)18(14-28)34-23)35-36(5,6)25(2,3)4)24(32)26(22(16)31)13-19(29)33-15-17-10-8-7-9-11-17/h7-12,18,20-21,23,28,30H,13-15H2,1-6H3/t18-,20-,21-,23-/m1/s1
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| InChIKey |
UDHGWZLFFYNWRQ-KTDPBYDISA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound