General Information of the Compound
| Compound ID |
CP0512394
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| Compound Name |
2-(7-cyclopropyl-6-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid
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| Structure |
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| Formula |
C12H12N2O2S2
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| Molecular Weight |
280.374
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| Canonical SMILES |
Cc1sc2c(SCC(O)=O)ncnc2c1C1CC1
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| InChI |
InChI=1S/C12H12N2O2S2/c1-6-9(7-2-3-7)10-11(18-6)12(14-5-13-10)17-4-8(15)16/h5,7H,2-4H2,1H3,(H,15,16)
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| InChIKey |
ZWZXFAFCRNTNAA-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