General Information of the Compound
| Compound ID |
CP0533801
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| Compound Name |
(2S)-2-acetamido-6-amino-N-[2,3-di(tetradecoxy)propyl]hexanamide;hydrochloride
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| Structure |
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| Formula |
C39H80ClN3O4
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| Molecular Weight |
690.539
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| Canonical SMILES |
Cl.CCCCCCCCCCCCCCOCC(CNC(=O)[C@H](CCCCN)NC(C)=O)OCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C39H79N3O4.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-28-32-45-35-37(34-41-39(44)38(42-36(3)43)30-26-27-31-40)46-33-29-25-23-21-19-17-15-13-11-9-7-5-2;/h37-38H,4-35,40H2,1-3H3,(H,41,44)(H,42,43);1H/t37?,38-;/m0./s1
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| InChIKey |
LXNYLOWTXJFIKY-NSWCCMNESA-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