General Information of the Compound
| Compound ID |
CP0558719
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| Compound Name |
2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
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| Structure |
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| Formula |
C11H12N2O2S2
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| Molecular Weight |
268.363
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| Canonical SMILES |
Cc1sc2nc(C)nc(SCC(O)=O)c2c1C
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| InChI |
InChI=1S/C11H12N2O2S2/c1-5-6(2)17-11-9(5)10(12-7(3)13-11)16-4-8(14)15/h4H2,1-3H3,(H,14,15)
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| InChIKey |
KYUSHTZAQSEDIQ-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