General Information of the Compound
| Compound ID |
CP0522584
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| Compound Name |
N,N'-bis[(3-hydroxy-4-methoxyphenyl)methyl]icosanediamide
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| Structure |
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| Formula |
C36H56N2O6
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| Molecular Weight |
612.852
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| Canonical SMILES |
COc1ccc(CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)NCc2ccc(OC)c(O)c2)cc1O
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| InChI |
InChI=1S/C36H56N2O6/c1-43-33-23-21-29(25-31(33)39)27-37-35(41)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-36(42)38-28-30-22-24-34(44-2)32(40)26-30/h21-26,39-40H,3-20,27-28H2,1-2H3,(H,37,41)(H,38,42)
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| InChIKey |
SIKIVIYTXSECIJ-UHFFFAOYSA-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