General Information of the Compound
| Compound ID |
CP0878581
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| Compound Name |
1-[9-(tert-Butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-3-methyl-4-methylamino-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C27H49N3O8SSi2
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| Molecular Weight |
631.941
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| Canonical SMILES |
CNC1=C(C)S(=O)(=O)O[C@@]12[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n1cc(C)c(=O)n(C)c1=O)[C@@H]2O[Si](C)(C)C(C)(C)C
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| InChI |
InChI=1S/C27H49N3O8SSi2/c1-17-15-30(24(32)29(10)22(17)31)23-21(37-41(13,14)26(6,7)8)27(20(28-9)18(2)39(33,34)38-27)19(36-23)16-35-40(11,12)25(3,4)5/h15,19,21,23,28H,16H2,1-14H3/t19-,21+,23-,27+/m1/s1
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| InChIKey |
AVSFAZHQPPPHIY-ZOZFQSSASA-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