General Information of the Compound
| Compound ID |
CP0529701
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| Compound Name |
(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (1-methyl-1H-pyrrol-2-ylmethyl)-amide
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| Structure |
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| Formula |
C26H40N2O
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| Molecular Weight |
396.619
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| Canonical SMILES |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1cccn1C
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| InChI |
InChI=1S/C26H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26(29)27-24-25-21-20-23-28(25)2/h7-8,10-11,13-14,16-17,20-21,23H,3-6,9,12,15,18-19,22,24H2,1-2H3,(H,27,29)/b8-7-,11-10-,14-13-,17-16-
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| InChIKey |
OTWYWFGPMVQBOQ-ZKWNWVNESA-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