General Information of the Compound
| Compound ID |
CP0539828
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| Compound Name |
(E,7R,11R)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3,7,11,15-tetramethylhexadec-2-enamide
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| Structure |
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| Formula |
C28H47NO3
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| Molecular Weight |
445.688
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| Canonical SMILES |
COc1cc(CNC(=O)\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)ccc1O
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| InChI |
InChI=1S/C28H47NO3/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)18-28(31)29-20-25-16-17-26(30)27(19-25)32-6/h16-19,21-23,30H,7-15,20H2,1-6H3,(H,29,31)/b24-18+/t22-,23-/m1/s1
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| InChIKey |
SRCYPPPJXGPXQE-AFBKPRHMSA-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