General Information of the Compound
| Compound ID |
CP0433615
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| Compound Name |
16-(3-hydroxy-5-pentylphenoxy)hexadecanoic acid (2-hydroxyethyl)amide
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| Structure |
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| Formula |
C29H51NO4
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| Molecular Weight |
477.73
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| Canonical SMILES |
CCCCCc1cc(O)cc(OCCCCCCCCCCCCCCCC(=O)NCCO)c1
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| InChI |
InChI=1S/C29H51NO4/c1-2-3-15-18-26-23-27(32)25-28(24-26)34-22-17-14-12-10-8-6-4-5-7-9-11-13-16-19-29(33)30-20-21-31/h23-25,31-32H,2-22H2,1H3,(H,30,33)
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| InChIKey |
DJYFFLMDZIXFAH-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