General Information of the Compound
| Compound ID |
CP0890493
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| Compound Name |
(S)-17-Hydroxy-docosa-7,10,13,15-tetraenoic acid methyl ester (17(S)-OH-22 : 4, Me)
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| Structure |
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| Formula |
C23H38O3
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| Molecular Weight |
362.554
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| Canonical SMILES |
CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC
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| InChI |
InChI=1S/C23H38O3/c1-3-4-16-19-22(24)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-23(25)26-2/h6-9,12,14,17,20,22,24H,3-5,10-11,13,15-16,18-19,21H2,1-2H3/b8-6-,9-7-,14-12-,20-17+/t22-/m0/s1
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| InChIKey |
HRMXTCJALNSXBX-BUYFNONLSA-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