General Information of the Compound
| Compound ID |
CP0847076
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| Compound Name |
1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-hydroxymethyl-2,2-dioxo-3-vinyl-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C20H31N3O8SSi
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| Molecular Weight |
501.634
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| Canonical SMILES |
C=CC1=C(N)[C@@]2(OS1(=O)=O)[C@@H](CO)O[C@@H](n1cc(C)c(=O)[nH]c1=O)[C@@H]2O[Si](C)(C)C(C)(C)C
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| InChI |
InChI=1S/C20H31N3O8SSi/c1-8-12-14(21)20(31-32(12,27)28)13(10-24)29-17(15(20)30-33(6,7)19(3,4)5)23-9-11(2)16(25)22-18(23)26/h8-9,13,15,17,24H,1,10,21H2,2-7H3,(H,22,25,26)/t13-,15+,17-,20+/m1/s1
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| InChIKey |
VRZADLCUITXBCL-WNJKXWAASA-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