General Information of the Compound
| Compound ID |
CP0399923
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| Compound Name |
(E)-N-[1-(4-hydroxy-3-methoxyphenyl)ethyl]octadec-9-enamide
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| Structure |
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| Formula |
C27H45NO3
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| Molecular Weight |
431.661
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| Canonical SMILES |
CCCCCCCC\C=C\CCCCCCCC(=O)NC(C)c1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C27H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(30)28-23(2)24-20-21-25(29)26(22-24)31-3/h11-12,20-23,29H,4-10,13-19H2,1-3H3,(H,28,30)/b12-11+
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| InChIKey |
PDSONJCLOSGFGI-VAWYXSNFSA-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