General Information of the Compound
| Compound ID |
CP0554690
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| Compound Name |
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(4-nitrophenyl)sulfonyldocosa-4,7,10,13,16,19-hexaenamide
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| Structure |
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| Formula |
C28H36N2O5S
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| Molecular Weight |
512.672
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| Canonical SMILES |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C28H36N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(31)29-36(34,35)27-24-22-26(23-25-27)30(32)33/h3-4,6-7,9-10,12-13,15-16,18-19,22-25H,2,5,8,11,14,17,20-21H2,1H3,(H,29,31)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
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| InChIKey |
VDIWFKLOBZZOII-KUBAVDMBSA-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