General Information of the Compound
| Compound ID |
CP0497055
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| Compound Name |
tetradecyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
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| Structure |
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| Formula |
C31H40O6
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| Molecular Weight |
508.655
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| Canonical SMILES |
CCCCCCCCCCCCCCOC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
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| InChI |
InChI=1S/C31H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-35-30(34)23-36-25-20-26(32)31-27(33)22-28(37-29(31)21-25)24-17-14-13-15-18-24/h13-15,17-18,20-22,32H,2-12,16,19,23H2,1H3
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| InChIKey |
IBHLXNGSNVBLIQ-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