General Information of the Compound
| Compound ID |
CP0890934
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| Compound Name |
3-(4-bromothiophen-2-yl)-2-oxo-2H-chromene-7,8-diyl diacetate
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| Structure |
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| Formula |
C17H11BrO6S
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| Molecular Weight |
423.24
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| Canonical SMILES |
CC(=O)Oc1ccc2cc(-c3cc(Br)cs3)c(=O)oc2c1OC(C)=O
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| InChI |
InChI=1S/C17H11BrO6S/c1-8(19)22-13-4-3-10-5-12(14-6-11(18)7-25-14)17(21)24-15(10)16(13)23-9(2)20/h3-7H,1-2H3
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| InChIKey |
VWOFSTTXFKJPBL-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: PT05120, Transmembrane domain-containing protein TMIGD3