General Information of the Compound
| Compound ID |
CP0517310
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| Compound Name |
N-[2,3-di(tetradecoxy)propyl]-3-piperazin-1-ylbenzamide;hydrochloride
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| Structure |
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| Formula |
C42H78ClN3O3
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| Molecular Weight |
708.557
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| Canonical SMILES |
Cl.CCCCCCCCCCCCCCOCC(CNC(=O)c1cccc(c1)N1CCNCC1)OCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C42H77N3O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-34-47-38-41(48-35-26-24-22-20-18-16-14-12-10-8-6-4-2)37-44-42(46)39-28-27-29-40(36-39)45-32-30-43-31-33-45;/h27-29,36,41,43H,3-26,30-35,37-38H2,1-2H3,(H,44,46);1H
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| InChIKey |
IYJQGWHPRGYTPP-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
Protein ID: PT04438, Toll-like receptor 2
Protein ID: PT02347, Tumor necrosis factor