General Information of the Compound
| Compound ID |
CP0524684
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| Compound Name |
[(1S,2R)-2-ethoxycarbonyl-2-tridecylcyclopentyl] 2-(trimethylazaniumyl)ethyl phosphate
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| Structure |
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| Formula |
C26H52NO6P
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| Molecular Weight |
505.677
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| Canonical SMILES |
CCCCCCCCCCCCC[C@]1(CCC[C@@H]1OP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCC
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| InChI |
InChI=1S/C26H52NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-20-26(25(28)31-7-2)21-18-19-24(26)33-34(29,30)32-23-22-27(3,4)5/h24H,6-23H2,1-5H3/t24-,26+/m0/s1
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| InChIKey |
PDOBCFGGVXQZBF-AZGAKELHSA-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