General Information of the Compound
| Compound ID |
CP0900310
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| Compound Name |
15-Hydroxy-icosa-5,8,11,13-tetraenoic acid methyl ester (15(S)-OH-20:4 Me)
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| Structure |
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| Formula |
C21H34O3
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| Molecular Weight |
334.5
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| Canonical SMILES |
CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)OC
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| InChI |
InChI=1S/C21H34O3/c1-3-4-14-17-20(22)18-15-12-10-8-6-5-7-9-11-13-16-19-21(23)24-2/h5-6,9-12,15,18,20,22H,3-4,7-8,13-14,16-17,19H2,1-2H3/b6-5-,11-9-,12-10-,18-15+/t20-/m0/s1
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| InChIKey |
ZGQAWLCSJFHXDF-QIOBGPQXSA-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