General Information of the Compound
| Compound ID |
CP0505635
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| Compound Name |
3-(2-bromo-3,5-dimethoxyphenyl)-6-methylchromen-2-one
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| Structure |
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| Formula |
C18H15BrO4
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| Molecular Weight |
375.218
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| Canonical SMILES |
COc1cc(OC)c(Br)c(c1)-c1cc2cc(C)ccc2oc1=O
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| InChI |
InChI=1S/C18H15BrO4/c1-10-4-5-15-11(6-10)7-14(18(20)23-15)13-8-12(21-2)9-16(22-3)17(13)19/h4-9H,1-3H3
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| InChIKey |
SDQNCIIRQFGVMP-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