General Information of the Compound
| Compound ID |
CP0487033
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| Compound Name |
Acetic acid 2-acetoxy-5-(6-hexadecyloxy-5,7-dimethoxy-4-oxo-4H-chromen-2-yl)-phenyl ester
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| Structure |
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| Formula |
C37H50O9
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| Molecular Weight |
638.798
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| Canonical SMILES |
CCCCCCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
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| InChI |
InChI=1S/C37H50O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-43-36-34(41-4)25-33-35(37(36)42-5)29(40)24-31(46-33)28-20-21-30(44-26(2)38)32(23-28)45-27(3)39/h20-21,23-25H,6-19,22H2,1-5H3
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| InChIKey |
CTLIFEAJGYNOGD-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