General Information of the Compound
| Compound ID |
CP0446367
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| Compound Name |
(E,12R)-12-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide
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| Structure |
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| Formula |
C26H43NO4
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| Molecular Weight |
433.633
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| Canonical SMILES |
CCCCCC[C@@H](O)C\C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C26H43NO4/c1-3-4-5-12-15-23(28)16-13-10-8-6-7-9-11-14-17-26(30)27-21-22-18-19-24(29)25(20-22)31-2/h10,13,18-20,23,28-29H,3-9,11-12,14-17,21H2,1-2H3,(H,27,30)/b13-10+/t23-/m1/s1
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| InChIKey |
FEARCXYRCLNTRM-UQNNOOFXSA-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