General Information of the Compound
| Compound ID |
CP0476830
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| Compound Name |
[2-[(4-hydroxy-3-methoxyphenyl)methylamino]-2-oxoethyl] (Z)-octadec-9-enoate
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| Structure |
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| Formula |
C28H45NO5
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| Molecular Weight |
475.67
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(=O)NCc1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C28H45NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(32)34-23-27(31)29-22-24-19-20-25(30)26(21-24)33-2/h10-11,19-21,30H,3-9,12-18,22-23H2,1-2H3,(H,29,31)/b11-10-
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| InChIKey |
XKNNFEDKPOGUQX-KHPPLWFESA-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