General Information of the Compound
| Compound ID |
CP0477026
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| Compound Name |
3-(4-bromophenyl)-8-(2-oxopropoxy)chromen-2-one
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| Structure |
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| Formula |
C18H13BrO4
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| Molecular Weight |
373.202
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| Canonical SMILES |
CC(=O)COc1cccc2cc(-c3ccc(Br)cc3)c(=O)oc12
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| InChI |
InChI=1S/C18H13BrO4/c1-11(20)10-22-16-4-2-3-13-9-15(18(21)23-17(13)16)12-5-7-14(19)8-6-12/h2-9H,10H2,1H3
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| InChIKey |
MMXORHLSRIBHAO-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