General Information of the Compound
| Compound ID |
CP0510121
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| Compound Name |
5-ethyl-2-(phenylsulfonylmethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
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| Structure |
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| Formula |
C16H14N2O5S
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| Molecular Weight |
346.364
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| Canonical SMILES |
CCc1cc(=O)oc2nc(CS(=O)(=O)c3ccccc3)[nH]c(=O)c12
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| InChI |
InChI=1S/C16H14N2O5S/c1-2-10-8-13(19)23-16-14(10)15(20)17-12(18-16)9-24(21,22)11-6-4-3-5-7-11/h3-8H,2,9H2,1H3,(H,17,18,20)
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| InChIKey |
KBDCZSGENUPLME-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