General Information of the Compound
| Compound ID |
CP0536574
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| Compound Name |
5-(3-iodo-phenyl)-5-methyl-4-oxo-4,5-dihydro-furan-2-carboxylic acid
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| Structure |
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| Formula |
C12H9IO4
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| Molecular Weight |
344.104
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| Canonical SMILES |
CC1(OC(=CC1=O)C(O)=O)c1cccc(I)c1
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| InChI |
InChI=1S/C12H9IO4/c1-12(7-3-2-4-8(13)5-7)10(14)6-9(17-12)11(15)16/h2-6H,1H3,(H,15,16)
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| InChIKey |
QJKQNKXFEZQYQP-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: PT01282, Hydroxycarboxylic acid receptor 2
Protein ID: PT02010, Hydroxycarboxylic acid receptor 3