General Information of the Compound
| Compound ID |
CP0467602
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| Compound Name |
Acetic acid 2-acetoxy-5-(5,7-dimethoxy-6-octadecyloxy-4-oxo-4H-chromen-2-yl)-phenyl ester
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| Structure |
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| Formula |
C39H54O9
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| Molecular Weight |
666.852
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| Canonical SMILES |
CCCCCCCCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
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| InChI |
InChI=1S/C39H54O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-45-38-36(43-4)27-35-37(39(38)44-5)31(42)26-33(48-35)30-22-23-32(46-28(2)40)34(25-30)47-29(3)41/h22-23,25-27H,6-21,24H2,1-5H3
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| InChIKey |
DCJAEHATBCFOFR-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