General Information of the Compound
| Compound ID |
CP0443765
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| Compound Name |
8-methyl-3-(4-nitrophenyl)chromen-2-one
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| Structure |
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| Formula |
C16H11NO4
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| Molecular Weight |
281.267
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| Canonical SMILES |
Cc1cccc2cc(-c3ccc(cc3)[N+]([O-])=O)c(=O)oc12
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| InChI |
InChI=1S/C16H11NO4/c1-10-3-2-4-12-9-14(16(18)21-15(10)12)11-5-7-13(8-6-11)17(19)20/h2-9H,1H3
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| InChIKey |
JMRDPDJMXDDATP-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