General Information of the Compound
| Compound ID |
CP0524941
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| Compound Name |
[(2R)-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]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 |
C39H64N4O5S
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| Molecular Weight |
701.031
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| Canonical SMILES |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
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| InChI |
InChI=1S/C39H64N4O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27-36(45)41-32(2)30-48-37(46)28-21-19-24-29-40-35(44)26-23-22-25-34-38-33(31-49-34)42-39(47)43-38/h7-8,10-11,13-14,16-17,32-34,38H,3-6,9,12,15,18-31H2,1-2H3,(H,40,44)(H,41,45)(H2,42,43,47)/b8-7-,11-10-,14-13-,17-16-/t32-,33+,34+,38+/m1/s1
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| InChIKey |
ZXIYCLHOVYOSDQ-FKBDDQMTSA-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