General Information of the Compound
| Compound ID |
CP0527412
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| Compound Name |
[3-hydroxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]propyl] hex-5-ynoate
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| Structure |
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| Formula |
C29H46O4
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| Molecular Weight |
458.683
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| Canonical SMILES |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)COC(=O)CCCC#C
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| InChI |
InChI=1S/C29H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-32-28(26-30)27-33-29(31)24-22-6-4-2/h2,9-10,12-13,15-16,18-19,28,30H,3,5-8,11,14,17,20-27H2,1H3/b10-9-,13-12-,16-15-,19-18-
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| InChIKey |
BMSAEUSKGLUXTC-SNPVRQPZSA-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2