General Information of the Compound
| Compound ID |
CP0563461
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| Compound Name |
N-[2,3-bis[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]-3-piperidin-4-ylbenzamide
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| Structure |
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| Formula |
C51H86N2O3
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| Molecular Weight |
775.26
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| Canonical SMILES |
CCCCC\C=C/C\C=C/CCCCCCCCOCC(CNC(=O)c1cccc(c1)C1CCNCC1)OCCCCCCCC\C=C/C\C=C/CCCCC
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| InChI |
InChI=1S/C51H86N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42-55-46-50(45-53-51(54)49-37-35-36-48(44-49)47-38-40-52-41-39-47)56-43-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,35-37,44,47,50,52H,3-10,15-16,21-34,38-43,45-46H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-
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| InChIKey |
UVWFUPXMFMAYRJ-MAZCIEHSSA-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
Protein ID: PT04438, Toll-like receptor 2
Protein ID: PT02347, Tumor necrosis factor