General Information of the Compound
| Compound ID |
CP0502804
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| Compound Name |
2-[(5-Methoxy-1,3-benzothiazol-2-yl)thio]-2-methylpropanoic Acid
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| Structure |
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| Formula |
C12H13NO3S2
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| Molecular Weight |
283.374
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| Canonical SMILES |
COc1ccc2sc(SC(C)(C)C(O)=O)nc2c1
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| InChI |
InChI=1S/C12H13NO3S2/c1-12(2,10(14)15)18-11-13-8-6-7(16-3)4-5-9(8)17-11/h4-6H,1-3H3,(H,14,15)
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| InChIKey |
HCCXGCKRIQEGGQ-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