General Information of the Compound
| Compound ID |
CP0414935
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| Compound Name |
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(Z,12R)-12-hydroxyoctadec-9-enyl]selanylpropanamide
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| Structure |
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| Formula |
C29H49NO4Se
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| Molecular Weight |
554.674
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| Canonical SMILES |
CCCCCC[C@@H](O)C\C=C/CCCCCCCC[Se]CCC(=O)NCc1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C29H49NO4Se/c1-3-4-5-13-16-26(31)17-14-11-9-7-6-8-10-12-15-21-35-22-20-29(33)30-24-25-18-19-27(32)28(23-25)34-2/h11,14,18-19,23,26,31-32H,3-10,12-13,15-17,20-22,24H2,1-2H3,(H,30,33)/b14-11-/t26-/m1/s1
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| InChIKey |
HOESDJAEFGLIDW-RDQNCKLBSA-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