General Information of the Compound
| Compound ID |
CP0918448
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| Compound Name |
(E)-Octadec-9-enoic acid (R)-2-methoxy-1-phosphonooxymethyl-ethyl ester
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| Structure |
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| Formula |
C22H43O6PS
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| Molecular Weight |
466.621
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| Canonical SMILES |
CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](COC)COP(O)(O)=S
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| InChI |
InChI=1S/C22H43O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)28-21(19-26-2)20-27-29(24,25)30/h10-11,21H,3-9,12-20H2,1-2H3,(H2,24,25,30)/b11-10+/t21-/m1/s1
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| InChIKey |
PMRAAQBUIPXQJQ-RQWLHQTBSA-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