General Information of the Compound
| Compound ID |
CP0459394
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| Compound Name |
(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid thiophen-2-ylmethyl ester
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| Structure |
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| Formula |
C25H36O2S
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| Molecular Weight |
400.628
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| Canonical SMILES |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCc1cccs1
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| InChI |
InChI=1S/C25H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(26)27-23-24-20-19-22-28-24/h6-7,9-10,12-13,15-16,19-20,22H,2-5,8,11,14,17-18,21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-
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| InChIKey |
JVBGBRBEKHETSN-DOFZRALJSA-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