General Information of the Compound
| Compound ID |
CP0415013
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| Compound Name |
1-octadecyl-2-methoxy-rac-glycero-3-phosphocholine(ET-18-OMe)
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| Structure |
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| Formula |
C27H58NO6P
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| Molecular Weight |
523.736
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| Canonical SMILES |
CCCCCCCCCCCCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC
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| InChI |
InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3
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| InChIKey |
MHFRGQHAERHWKZ-UHFFFAOYSA-N
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| CAS |
119225-10-4
122130-64-7
195154-26-8
65492-82-2
70641-51-9
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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