General Information of the Compound
| Compound ID |
CP0420988
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| Compound Name |
3-(4-bromophenyl)-8-ethoxychromen-2-one
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| Structure |
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| Formula |
C17H13BrO3
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| Molecular Weight |
345.192
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| Canonical SMILES |
CCOc1cccc2cc(-c3ccc(Br)cc3)c(=O)oc12
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| InChI |
InChI=1S/C17H13BrO3/c1-2-20-15-5-3-4-12-10-14(17(19)21-16(12)15)11-6-8-13(18)9-7-11/h3-10H,2H2,1H3
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| InChIKey |
PHMNRGKWKPYDEL-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