General Information of the Compound
| Compound ID |
CP0657339
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| Compound Name |
3-(4-bromothiophen-2-yl)-7,8-dihydroxy-2H-chromen-2-one
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| Structure |
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| Formula |
C13H7BrO4S
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| Molecular Weight |
339.166
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| Canonical SMILES |
O=c1oc2c(O)c(O)ccc2cc1-c1cc(Br)cs1
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| InChI |
InChI=1S/C13H7BrO4S/c14-7-4-10(19-5-7)8-3-6-1-2-9(15)11(16)12(6)18-13(8)17/h1-5,15-16H
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| InChIKey |
RYADCYDDECPVPB-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT05120, Transmembrane domain-containing protein TMIGD3