General Information of the Compound
| Compound ID |
CP0546649
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| Compound Name |
5-[(3R)-3-methyl-7-methylsulfonyl-2H-1,4-benzoxathiin-3-yl]-1,4-dihydropyrazine-2,3-dione
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| Structure |
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| Formula |
C14H14N2O5S2
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| Molecular Weight |
354.409
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| Canonical SMILES |
C[C@]1(COc2cc(ccc2S1)S(C)(=O)=O)c1c[nH]c(=O)c(=O)[nH]1
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| InChI |
InChI=1S/C14H14N2O5S2/c1-14(11-6-15-12(17)13(18)16-11)7-21-9-5-8(23(2,19)20)3-4-10(9)22-14/h3-6H,7H2,1-2H3,(H,15,17)(H,16,18)/t14-/m0/s1
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| InChIKey |
SUHWHWIJEZFURJ-AWEZNQCLSA-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