General Information of the Compound
| Compound ID |
CP0380753
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| Compound Name |
7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
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| Structure |
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| Formula |
C17H17NO3S
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| Molecular Weight |
315.394
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| Canonical SMILES |
CCOc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC
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| InChI |
InChI=1S/C17H17NO3S/c1-4-11-6-12-15(7-14(11)20-5-2)21-8-13(16(12)19)17-18-10(3)9-22-17/h6-9H,4-5H2,1-3H3
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| InChIKey |
RSUBSFUTPHFLEX-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3