General Information of the Compound
| Compound ID |
CP0512395
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| Compound Name |
2-[7-cyclopropyl-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
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| Structure |
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| Formula |
C12H9F3N2O2S2
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| Molecular Weight |
334.344
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| Canonical SMILES |
OC(=O)CSc1ncnc2c(C3CC3)c(sc12)C(F)(F)F
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| InChI |
InChI=1S/C12H9F3N2O2S2/c13-12(14,15)10-7(5-1-2-5)8-9(21-10)11(17-4-16-8)20-3-6(18)19/h4-5H,1-3H2,(H,18,19)
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| InChIKey |
CCIVFZSBGGHSSZ-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