General Information of the Compound
| Compound ID |
CP0533579
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| Compound Name |
3-(3,4-dimethoxyphenyl)-8-methylchromen-2-one
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| Structure |
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| Formula |
C18H16O4
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| Molecular Weight |
296.322
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cc2cccc(C)c2oc1=O
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| InChI |
InChI=1S/C18H16O4/c1-11-5-4-6-13-9-14(18(19)22-17(11)13)12-7-8-15(20-2)16(10-12)21-3/h4-10H,1-3H3
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| InChIKey |
YSSMFDCNHKVZSG-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