General Information of the Compound
| Compound ID |
CP0870947
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| Compound Name |
1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-3-prop-1-ynyl-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 |
C28H47N3O8SSi2
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| Molecular Weight |
641.936
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| Canonical SMILES |
CC#CC1=C(N)[C@@]2(OS1(=O)=O)[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/C28H47N3O8SSi2/c1-14-15-19-21(29)28(39-40(19,34)35)20(17-36-41(10,11)26(3,4)5)37-24(22(28)38-42(12,13)27(6,7)8)31-16-18(2)23(32)30(9)25(31)33/h16,20,22,24H,17,29H2,1-13H3/t20-,22+,24-,28+/m1/s1
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| InChIKey |
GBCIJBJNVOHBEI-IAZDFEAMSA-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