General Information of the Compound
| Compound ID |
CP0094047
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| Compound Name |
4-(4-Hydroxy-5-methyl-thiazol-2-yl)-benzoic acid methyl ester
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| Structure |
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| Formula |
C12H11NO3S
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| Molecular Weight |
249.291
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| Canonical SMILES |
COC(=O)c1ccc(cc1)-c1nc(O)c(C)s1
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| InChI |
InChI=1S/C12H11NO3S/c1-7-10(14)13-11(17-7)8-3-5-9(6-4-8)12(15)16-2/h3-6,14H,1-2H3
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| InChIKey |
PIMOKRKXBVBGIP-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