General Information of the Compound
| Compound ID |
CP0531173
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| Compound Name |
(2S)-6-amino-2-(benzylamino)-N-tetradecylhexanamide
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| Structure |
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| Formula |
C27H49N3O
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| Molecular Weight |
431.709
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| Canonical SMILES |
CCCCCCCCCCCCCCNC(=O)[C@H](CCCCN)NCc1ccccc1
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| InChI |
InChI=1S/C27H49N3O/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-29-27(31)26(21-16-17-22-28)30-24-25-19-14-13-15-20-25/h13-15,19-20,26,30H,2-12,16-18,21-24,28H2,1H3,(H,29,31)/t26-/m0/s1
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| InChIKey |
LXJLUMBCVCMVTB-SANMLTNESA-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