General Information of the Compound
| Compound ID |
CP0485671
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| Compound Name |
5-methyl-4-oxo-5-(3-trifluoromethyl-phenyl)-4,5-dihydro-furan-2-carboxylic acid
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| Structure |
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| Formula |
C13H9F3O4
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| Molecular Weight |
286.205
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| Canonical SMILES |
CC1(OC(=CC1=O)C(O)=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C13H9F3O4/c1-12(10(17)6-9(20-12)11(18)19)7-3-2-4-8(5-7)13(14,15)16/h2-6H,1H3,(H,18,19)
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| InChIKey |
GIOPESNBNCSBLX-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