General Information of the Compound
| Compound ID |
CP0429190
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| Compound Name |
(5Z,8Z,11Z,14Z)-N-(1-thiophen-2-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide
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| Structure |
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| Formula |
C27H41NOS
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| Molecular Weight |
427.698
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| Canonical SMILES |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC(C)Cc1cccs1
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| InChI |
InChI=1S/C27H41NOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(29)28-25(2)24-26-21-20-23-30-26/h7-8,10-11,13-14,16-17,20-21,23,25H,3-6,9,12,15,18-19,22,24H2,1-2H3,(H,28,29)/b8-7-,11-10-,14-13-,17-16-
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| InChIKey |
HOXXZIGMLCYDKG-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