General Information of the Compound
| Compound ID |
CP0505556
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| Compound Name |
16-(3-hydroxy-5-pentylphenoxy)hexadecanoic acid (4-hydroxyphenyl)amide
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| Structure |
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| Formula |
C33H51NO4
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| Molecular Weight |
525.774
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| Canonical SMILES |
CCCCCc1cc(O)cc(OCCCCCCCCCCCCCCCC(=O)Nc2ccc(O)cc2)c1
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| InChI |
InChI=1S/C33H51NO4/c1-2-3-15-18-28-25-31(36)27-32(26-28)38-24-17-14-12-10-8-6-4-5-7-9-11-13-16-19-33(37)34-29-20-22-30(35)23-21-29/h20-23,25-27,35-36H,2-19,24H2,1H3,(H,34,37)
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| InChIKey |
UJYLRVFYGHERPS-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