General Information of the Compound
| Compound ID |
CP0491850
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| Compound Name |
[2-acetyloxy-4-(8-acetyloxy-2-oxochromen-3-yl)phenyl] acetate
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| Structure |
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| Formula |
C21H16O8
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| Molecular Weight |
396.351
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| Canonical SMILES |
CC(=O)Oc1ccc(cc1OC(C)=O)-c1cc2cccc(OC(C)=O)c2oc1=O
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| InChI |
InChI=1S/C21H16O8/c1-11(22)26-17-8-7-14(10-19(17)28-13(3)24)16-9-15-5-4-6-18(27-12(2)23)20(15)29-21(16)25/h4-10H,1-3H3
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| InChIKey |
ZNJRRUZTEADZNJ-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3