General Information of the Compound
| Compound ID |
CP0430799
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| Compound Name |
hexadecyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
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| Structure |
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| Formula |
C33H44O6
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| Molecular Weight |
536.709
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| Canonical SMILES |
CCCCCCCCCCCCCCCCOC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
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| InChI |
InChI=1S/C33H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-37-32(36)25-38-27-22-28(34)33-29(35)24-30(39-31(33)23-27)26-19-16-15-17-20-26/h15-17,19-20,22-24,34H,2-14,18,21,25H2,1H3
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| InChIKey |
OTWPZTWMRCYFEY-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