General Information of the Compound
| Compound ID |
CP0451978
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| Compound Name |
[3-hydroxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]propyl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate
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| Structure |
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| Formula |
C39H65N3O6S
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| Molecular Weight |
704.031
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| Canonical SMILES |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
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| InChI |
InChI=1S/C39H65N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-47-33(30-43)31-48-37(45)27-20-19-23-28-40-36(44)26-22-21-25-35-38-34(32-49-35)41-39(46)42-38/h6-7,9-10,12-13,15-16,33-35,38,43H,2-5,8,11,14,17-32H2,1H3,(H,40,44)(H2,41,42,46)/b7-6-,10-9-,13-12-,16-15-/t33?,34-,35-,38-/m0/s1
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| InChIKey |
WECZZLGHVJQSIA-DOYPJHNISA-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