General Information of the Compound
| Compound ID |
CP0711426
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| Compound Name |
2-Hydroxy-4-oxo-4-o-tolylbut-2-enoic acid
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| Formula |
C11H10O4
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| Molecular Weight |
206.197
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| Canonical SMILES |
Cc1ccccc1C(=O)/C=C(\O)C(=O)O
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| InChI |
InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-6,13H,1H3,(H,14,15)/b10-6-
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| InChIKey |
KOARCYOFRFSLQT-POHAHGRESA-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