General Information of the Compound
| Compound ID |
CP0421067
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| Compound Name |
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
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| Structure |
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| Formula |
C10H10N2O2S2
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| Molecular Weight |
254.336
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| Canonical SMILES |
Cc1sc2ncnc(SCC(O)=O)c2c1C
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| InChI |
InChI=1S/C10H10N2O2S2/c1-5-6(2)16-10-8(5)9(11-4-12-10)15-3-7(13)14/h4H,3H2,1-2H3,(H,13,14)
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| InChIKey |
VSOXJMQZOPRPGI-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
Protein ID: PT05574, Palmitoleoyl-protein carboxylesterase NOTUM
Protein ID: PT06380, Palmitoleoyl-protein carboxylesterase NOTUM