General Information of the Compound
| Compound ID |
CP0756037
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| Compound Name |
8-Acetoxy-3-(thiophen-3-yl)coumarin
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| Structure |
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| Formula |
C15H10O4S
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| Molecular Weight |
286.308
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| Canonical SMILES |
CC(=O)Oc1cccc2cc(-c3ccsc3)c(=O)oc12
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| InChI |
InChI=1S/C15H10O4S/c1-9(16)18-13-4-2-3-10-7-12(11-5-6-20-8-11)15(17)19-14(10)13/h2-8H,1H3
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| InChIKey |
IHEVHQDZYZLBAI-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