General Information of the Compound
| Compound ID |
CP0442801
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| Compound Name |
5-(5-chloro-thiophen-2-yl)-5-methyl-4-oxo-4,5-dihydro-furan-2-carboxylic acid
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| Structure |
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| Formula |
C10H7ClO4S
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| Molecular Weight |
258.682
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| Canonical SMILES |
CC1(OC(=CC1=O)C(O)=O)c1ccc(Cl)s1
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| InChI |
InChI=1S/C10H7ClO4S/c1-10(7-2-3-8(11)16-7)6(12)4-5(15-10)9(13)14/h2-4H,1H3,(H,13,14)
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| InChIKey |
OIUBTTBLZOOEFX-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