General Information of the Compound
| Compound ID |
CP0537349
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| Compound Name |
(2S)-6-amino-2-(benzylamino)-N-(2-heptoxy-3-methoxypropyl)hexanamide
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| Structure |
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| Formula |
C24H43N3O3
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| Molecular Weight |
421.626
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| Canonical SMILES |
CCCCCCCOC(CNC(=O)[C@H](CCCCN)NCc1ccccc1)COC
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| InChI |
InChI=1S/C24H43N3O3/c1-3-4-5-6-12-17-30-22(20-29-2)19-27-24(28)23(15-10-11-16-25)26-18-21-13-8-7-9-14-21/h7-9,13-14,22-23,26H,3-6,10-12,15-20,25H2,1-2H3,(H,27,28)/t22?,23-/m0/s1
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| InChIKey |
POOBZROFHKHOPJ-WCSIJFPASA-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