General Information of the Compound
| Compound ID |
CP0509119
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| Compound Name |
[(1R,2R)-2-ethoxycarbonyl-2-octadecylcyclopentyl] 2-(trimethylazaniumyl)ethyl phosphate
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| Structure |
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| Formula |
C31H62NO6P
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| Molecular Weight |
575.812
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| Canonical SMILES |
CCCCCCCCCCCCCCCCCC[C@]1(CCC[C@H]1OP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCC
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| InChI |
InChI=1S/C31H62NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-31(30(33)36-7-2)26-23-24-29(31)38-39(34,35)37-28-27-32(3,4)5/h29H,6-28H2,1-5H3/t29-,31-/m1/s1
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| InChIKey |
HNFTWMXJPRUZNY-BVRKHOPBSA-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