General Information of the Compound
| Compound ID |
CP0500227
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| Compound Name |
octyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
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| Structure |
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| Formula |
C25H28O6
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| Molecular Weight |
424.493
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| Canonical SMILES |
CCCCCCCCOC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
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| InChI |
InChI=1S/C25H28O6/c1-2-3-4-5-6-10-13-29-24(28)17-30-19-14-20(26)25-21(27)16-22(31-23(25)15-19)18-11-8-7-9-12-18/h7-9,11-12,14-16,26H,2-6,10,13,17H2,1H3
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| InChIKey |
RPTVKSWFJINXJQ-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