General Information of the Compound
| Compound ID |
CP0799799
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| Compound Name |
3-(4-Bromothiophen-2-yl)-8-hydroxycoumarin
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| Structure |
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| Formula |
C13H7BrO3S
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| Molecular Weight |
323.167
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| Canonical SMILES |
O=c1oc2c(O)cccc2cc1-c1cc(Br)cs1
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| InChI |
InChI=1S/C13H7BrO3S/c14-8-5-11(18-6-8)9-4-7-2-1-3-10(15)12(7)17-13(9)16/h1-6,15H
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| InChIKey |
YVWXBLHWDHRVAV-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