General Information of the Compound
| Compound ID |
CP0420985
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| Compound Name |
8-(2-oxopropoxy)-3-phenylchromen-2-one
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| Structure |
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| Formula |
C18H14O4
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| Molecular Weight |
294.306
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| Canonical SMILES |
CC(=O)COc1cccc2cc(-c3ccccc3)c(=O)oc12
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| InChI |
InChI=1S/C18H14O4/c1-12(19)11-21-16-9-5-8-14-10-15(18(20)22-17(14)16)13-6-3-2-4-7-13/h2-10H,11H2,1H3
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| InChIKey |
JSGJSQSRRPTBJS-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