General Information of the Compound
| Compound ID |
CP0459446
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| Compound Name |
2-(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
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| Structure |
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| Formula |
C9H7ClN2O2S2
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| Molecular Weight |
274.754
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| Canonical SMILES |
Cc1c(Cl)sc2ncnc(SCC(O)=O)c12
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| InChI |
InChI=1S/C9H7ClN2O2S2/c1-4-6-8(15-2-5(13)14)11-3-12-9(6)16-7(4)10/h3H,2H2,1H3,(H,13,14)
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| InChIKey |
PKGGSZKGTOAVHZ-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