General Information of the Compound
| Compound ID |
CP0537852
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| Compound Name |
6-amino-N-[2,3-di(tetradecoxy)propyl]hexanamide;hydrochloride
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| Formula |
C37H77ClN2O3
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| Molecular Weight |
633.487
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| Canonical SMILES |
Cl.CCCCCCCCCCCCCCOCC(CNC(=O)CCCCCN)OCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C37H76N2O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-41-35-36(34-39-37(40)30-26-25-27-31-38)42-33-29-24-22-20-18-16-14-12-10-8-6-4-2;/h36H,3-35,38H2,1-2H3,(H,39,40);1H
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| InChIKey |
PEZUHOWAPKRWLG-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