General Information of the Compound
| Compound ID |
CP0914593
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| Compound Name |
{3-[4-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-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 |
C31H50N2O7Si2
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| Molecular Weight |
618.92
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| Canonical SMILES |
Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)OCc2ccccc2)c1=O
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| InChI |
InChI=1S/C31H50N2O7Si2/c1-22-18-32(29(36)33(28(22)35)19-27(34)37-20-23-15-13-12-14-16-23)26-17-24(40-42(10,11)31(5,6)7)25(39-26)21-38-41(8,9)30(2,3)4/h12-16,18,24-26H,17,19-21H2,1-11H3/t24-,25+,26+/m0/s1
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| InChIKey |
XJGABQAQKYATOA-JIMJEQGWSA-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