General Information of the Compound
| Compound ID |
CP0534531
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| Compound Name |
[1-methoxy-3-(octylcarbamoyloxy)propan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
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| Structure |
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| Formula |
C33H57NO5
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| Molecular Weight |
547.821
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| Canonical SMILES |
CCCCCCCCNC(=O)OCC(COC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
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| InChI |
InChI=1S/C33H57NO5/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-25-27-32(35)39-31(29-37-3)30-38-33(36)34-28-26-24-11-9-7-5-2/h12-13,15-16,18-19,21-22,31H,4-11,14,17,20,23-30H2,1-3H3,(H,34,36)/b13-12-,16-15-,19-18-,22-21-
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| InChIKey |
XKQACGFXJHLDRU-SYNYMFHXSA-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