General Information of the Compound
| Compound ID |
CP0801197
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| Compound Name |
7,8-Diacetoxy-3-(thiophen-2-yl)coumarin
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| Structure |
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| Formula |
C17H12O6S
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| Molecular Weight |
344.344
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| Canonical SMILES |
CC(=O)Oc1ccc2cc(-c3cccs3)c(=O)oc2c1OC(C)=O
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| InChI |
InChI=1S/C17H12O6S/c1-9(18)21-13-6-5-11-8-12(14-4-3-7-24-14)17(20)23-15(11)16(13)22-10(2)19/h3-8H,1-2H3
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| InChIKey |
NHWFVDMRQLZZDQ-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