General Information of the Compound
| Compound ID |
CP0008021
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| Compound Name |
2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-N-(2-oxo-2,3-dihydro-benzooxazol-6-yl)-acetamide
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| Synonyms |
1-[2-[[[[[5beta-[(Octadecylaminocarbonyloxy)methyl]tetrahydrofuran]-2beta-yl]methoxy]oxylatophosphinyl]oxy]ethyl]quinolinium
AC1L338E
RGH-896
[(2S,5R)-5-[[hydroxy(2-quinolin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]oxolan-2-yl]methyl N-octadecylcarbamate
[[[(2R)-5beta-[[(Octadecylcarbamoyl)oxy]methyl]tetrahydrofuran]-2beta-yl]methyl][2-(quinolinium-1-yl)ethyl] phosphate
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| Structure |
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| Formula |
C21H20FN3O4
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| Molecular Weight |
397.406
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| Canonical SMILES |
Fc1ccc(CC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
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| InChI |
InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)
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| InChIKey |
GKGRZLGAQZPEHO-UHFFFAOYSA-N
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| CAS |
496054-87-6
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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
Clinical Information about the Compound