General Information of the Compound
| Compound ID |
CP0052537
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| Compound Name |
2-(5-bromo-2-fluorophenyl)-3-(2-hydroxyethoxy)chromen-4-one
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| Structure |
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| Formula |
C17H12BrFO4
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| Molecular Weight |
379.181
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| Canonical SMILES |
OCCOc1c(oc2ccccc2c1=O)-c1cc(Br)ccc1F
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| InChI |
InChI=1S/C17H12BrFO4/c18-10-5-6-13(19)12(9-10)16-17(22-8-7-20)15(21)11-3-1-2-4-14(11)23-16/h1-6,9,20H,7-8H2
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| InChIKey |
BETNVZPJTMMQPD-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