General Information of the Compound
Compound ID |
CP0967495
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Compound Name |
(S)-15-Acetoxy-icosa-5,8,11,13-tetraenoic acid (15(S)-OAc-20 : 4)
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Structure |
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Formula |
C22H34O4
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Molecular Weight |
362.51
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Canonical SMILES |
CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)OC(C)=O
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InChI |
InChI=1S/C22H34O4/c1-3-4-14-17-21(26-20(2)23)18-15-12-10-8-6-5-7-9-11-13-16-19-22(24)25/h5-6,9-12,15,18,21H,3-4,7-8,13-14,16-17,19H2,1-2H3,(H,24,25)/b6-5-,11-9-,12-10-,18-15+/t21-/m0/s1
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InChIKey |
AGAAOHXFBRGCFM-UZOJNLMYSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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