General Information of the Compound
| Compound ID |
CP0579643
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| Compound Name |
5-[(3R)-3-methyl-7-(trifluoromethyl)-2H-1,4-benzoxathiin-3-yl]-1,4-dihydropyrazine-2,3-dione
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| Formula |
C14H11F3N2O3S
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| Molecular Weight |
344.314
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| Canonical SMILES |
C[C@]1(COc2cc(ccc2S1)C(F)(F)F)c1c[nH]c(=O)c(=O)[nH]1
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| InChI |
InChI=1S/C14H11F3N2O3S/c1-13(10-5-18-11(20)12(21)19-10)6-22-8-4-7(14(15,16)17)2-3-9(8)23-13/h2-5H,6H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1
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| InChIKey |
OQPPGZPVQXBCFK-ZDUSSCGKSA-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