General Information of the Compound
| Compound ID |
CP0535461
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| Compound Name |
13-Hydroxy-octadeca-9,11-dienoic acid (2-hydroxy-ethyl)-amide
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| Structure |
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| Formula |
C20H37NO3
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| Molecular Weight |
339.52
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| Canonical SMILES |
CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(=O)NCCO
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| InChI |
InChI=1S/C20H37NO3/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20(24)21-17-18-22/h7,9,12,15,19,22-23H,2-6,8,10-11,13-14,16-18H2,1H3,(H,21,24)/b9-7-,15-12+/t19-/m0/s1
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| InChIKey |
GBQSRUAXKWJYGA-RKMLUMNZSA-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