General Information of the Compound
| Compound ID |
CP0576992
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| Compound Name |
5-[7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxathiin-3-yl]-1,4-dihydropyrazine-2,3-dione
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| Structure |
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| Formula |
C13H9F3N2O3S
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| Molecular Weight |
330.287
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| Canonical SMILES |
FC(F)(F)c1ccc2SC(COc2c1)c1c[nH]c(=O)c(=O)[nH]1
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| InChI |
InChI=1S/C13H9F3N2O3S/c14-13(15,16)6-1-2-9-8(3-6)21-5-10(22-9)7-4-17-11(19)12(20)18-7/h1-4,10H,5H2,(H,17,19)(H,18,20)
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| InChIKey |
IYPSHXAEEWBZGE-UHFFFAOYSA-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