General Information of the Compound
| Compound ID |
CP0393157
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| Compound Name |
methyl (6E,8Z,11Z,14Z,17Z)-5-oxoicosa-6,8,11,14,17-pentaenoate
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| Structure |
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| Formula |
C21H30O3
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| Molecular Weight |
330.468
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| Canonical SMILES |
CC\C=C/C\C=C/C\C=C/C\C=C/C=C/C(=O)CCCC(=O)OC
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| InChI |
InChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-16-19-21(23)24-2/h4-5,7-8,10-11,13-15,17H,3,6,9,12,16,18-19H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-15+
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| InChIKey |
GMLNYELUXRVLGZ-OSDQZAHSSA-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