General Information of the Compound
| Compound ID |
CP0558929
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| Compound Name |
methyl (5E,7Z,10Z,13Z,16Z,19Z)-4-oxodocosa-5,7,10,13,16,19-hexaenoate
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| Structure |
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| Formula |
C23H32O3
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| Molecular Weight |
356.506
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| Canonical SMILES |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/C(=O)CCC(=O)OC
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| InChI |
InChI=1S/C23H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)20-21-23(25)26-2/h4-5,7-8,10-11,13-14,16-19H,3,6,9,12,15,20-21H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,19-18+
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| InChIKey |
LFPDUKVPMXDRGO-MVWYYRFCSA-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