General Information of the Compound
| Compound ID |
CP0507376
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| Compound Name |
benzyl N-[4-[2,3-di(tetradecoxy)propylcarbamoyl]piperidin-4-yl]carbamate;hydrochloride
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| Structure |
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| Formula |
C45H82ClN3O5
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| Molecular Weight |
780.62
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| Canonical SMILES |
Cl.CCCCCCCCCCCCCCOCC(CNC(=O)C1(CCNCC1)NC(=O)OCc1ccccc1)OCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C45H81N3O5.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-28-36-51-40-42(52-37-29-24-22-20-18-16-14-12-10-8-6-4-2)38-47-43(49)45(32-34-46-35-33-45)48-44(50)53-39-41-30-26-25-27-31-41;/h25-27,30-31,42,46H,3-24,28-29,32-40H2,1-2H3,(H,47,49)(H,48,50);1H
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| InChIKey |
CRHNVDUYZSGNKP-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