General Information of the Compound
| Compound ID |
CP0486950
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| Compound Name |
[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl] methanesulfonate
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| Structure |
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| Formula |
C12H10N2O3S2
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| Molecular Weight |
294.357
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| Canonical SMILES |
Cc1nc(cs1)C#Cc1ccc(OS(C)(=O)=O)nc1
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| InChI |
InChI=1S/C12H10N2O3S2/c1-9-14-11(8-18-9)5-3-10-4-6-12(13-7-10)17-19(2,15)16/h4,6-8H,1-2H3
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| InChIKey |
IKHDWVPOIDWXRU-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