General Information of the Compound
| Compound ID |
CP0482387
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| Compound Name |
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(Z)-octadec-9-enyl]sulfanylpropanamide
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| Structure |
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| Formula |
C29H49NO3S
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| Molecular Weight |
491.782
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCCSCCC(=O)NCc1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C29H49NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34-23-21-29(32)30-25-26-19-20-27(31)28(24-26)33-2/h10-11,19-20,24,31H,3-9,12-18,21-23,25H2,1-2H3,(H,30,32)/b11-10-
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| InChIKey |
CHDQMTNNTJZIGS-KHPPLWFESA-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