General Information of the Compound
| Compound ID |
CP0505505
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| Compound Name |
[1-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-3-hydroxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
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| Structure |
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| Formula |
C39H63N3O7S
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| Molecular Weight |
718.014
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| Canonical SMILES |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
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| InChI |
InChI=1S/C39H63N3O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27-37(46)49-32(29-43)30-48-36(45)26-20-18-23-28-40-35(44)25-22-21-24-34-38-33(31-50-34)41-39(47)42-38/h6-7,9-10,12-13,15-16,32-34,38,43H,2-5,8,11,14,17-31H2,1H3,(H,40,44)(H2,41,42,47)/b7-6-,10-9-,13-12-,16-15-/t32?,33-,34-,38-/m0/s1
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| InChIKey |
IJVYLKLATYSWHG-CHDWYJDFSA-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