General Information of the Compound
| Compound ID |
CP0516469
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| Compound Name |
2-(5-chloro-6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
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| Structure |
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| Formula |
C11H11ClN2O2S2
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| Molecular Weight |
302.808
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| Canonical SMILES |
CC(C)c1sc2ncnc(SCC(O)=O)c2c1Cl
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| InChI |
InChI=1S/C11H11ClN2O2S2/c1-5(2)9-8(12)7-10(17-3-6(15)16)13-4-14-11(7)18-9/h4-5H,3H2,1-2H3,(H,15,16)
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| InChIKey |
TUDBPRPGAXLCMB-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