General Information of the Compound
| Compound ID |
CP0507377
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| Compound Name |
(2S)-6-amino-N-[2,3-di(tetradecoxy)propyl]-2-[(4-fluorophenyl)methylamino]hexanamide;hydrochloride
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| Formula |
C44H83ClFN3O3
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| Molecular Weight |
756.617
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| Canonical SMILES |
Cl.CCCCCCCCCCCCCCOCC(CNC(=O)[C@H](CCCCN)NCc1ccc(F)cc1)OCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C44H82FN3O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-27-35-50-39-42(51-36-28-24-22-20-18-16-14-12-10-8-6-4-2)38-48-44(49)43(29-25-26-34-46)47-37-40-30-32-41(45)33-31-40;/h30-33,42-43,47H,3-29,34-39,46H2,1-2H3,(H,48,49);1H/t42?,43-;/m0./s1
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| InChIKey |
ZIESZZBGEBIJAC-ZQBZJLFPSA-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