General Information of the Compound
| Compound ID |
CP0475850
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| Compound Name |
5-(2-thiophen-2-ylethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
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| Structure |
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| Formula |
C13H10N2O4S
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| Molecular Weight |
290.3
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| Canonical SMILES |
O=c1cc(CCc2cccs2)c2c([nH]c(=O)[nH]c2=O)o1
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| InChI |
InChI=1S/C13H10N2O4S/c16-9-6-7(3-4-8-2-1-5-20-8)10-11(17)14-13(18)15-12(10)19-9/h1-2,5-6H,3-4H2,(H2,14,15,17,18)
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| InChIKey |
AJGQQTCONOGWIG-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