General Information of the Compound
| Compound ID |
CP0039135
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| Compound Name |
Acetic acid 5,7-diacetoxy-4-oxo-2-phenyl-4H-chromen-3-yl ester
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| Structure |
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| Formula |
C21H16O8
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| Molecular Weight |
396.351
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| Canonical SMILES |
CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(-c1ccccc1)c(OC(C)=O)c2=O
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| InChI |
InChI=1S/C21H16O8/c1-11(22)26-15-9-16(27-12(2)23)18-17(10-15)29-20(14-7-5-4-6-8-14)21(19(18)25)28-13(3)24/h4-10H,1-3H3
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| InChIKey |
IIQZFVFIGAEZAD-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