General Information of the Compound
| Compound ID |
CP0420984
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| Compound Name |
3-(4-methylphenyl)-8-(2-oxopropoxy)chromen-2-one
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| Structure |
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| Formula |
C19H16O4
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| Molecular Weight |
308.333
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| Canonical SMILES |
CC(=O)COc1cccc2cc(-c3ccc(C)cc3)c(=O)oc12
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| InChI |
InChI=1S/C19H16O4/c1-12-6-8-14(9-7-12)16-10-15-4-3-5-17(22-11-13(2)20)18(15)23-19(16)21/h3-10H,11H2,1-2H3
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| InChIKey |
FTEWBMZFUKFKEC-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