General Information of the Compound
| Compound ID |
CP0405506
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| Compound Name |
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-11-en-9-ynamide
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| Structure |
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| Formula |
C26H39NO3
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| Molecular Weight |
413.602
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| Canonical SMILES |
CCCCCC\C=C\C#CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C26H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h8-9,19-21,28H,3-7,12-18,22H2,1-2H3,(H,27,29)/b9-8+
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| InChIKey |
DNZQCJQSBTWFRB-CMDGGOBGSA-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