General Information of the Compound
| Compound ID |
CP0572756
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| Compound Name |
3-amino-N-[2,3-di(tetradecoxy)propyl]propanamide;hydrochloride
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| Structure |
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| Formula |
C34H71ClN2O3
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| Molecular Weight |
591.406
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| Canonical SMILES |
Cl.CCCCCCCCCCCCCCOCC(CNC(=O)CCN)OCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C34H70N2O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-38-32-33(31-36-34(37)27-28-35)39-30-26-24-22-20-18-16-14-12-10-8-6-4-2;/h33H,3-32,35H2,1-2H3,(H,36,37);1H
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| InChIKey |
XXLCCFYAMXSGQX-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