General Information of the Compound
| Compound ID |
CP0466057
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| Compound Name |
[(5Z,8Z,11Z,14Z)-19-[[(2R)-1-hydroxypropan-2-yl]amino]-19-oxononadeca-5,8,11,14-tetraenyl] 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 |
C38H62N4O6S
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| Molecular Weight |
703.003
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| Canonical SMILES |
C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
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| InChI |
InChI=1S/C38H62N4O6S/c1-31(29-43)40-35(45)25-17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-22-28-48-36(46)26-18-16-21-27-39-34(44)24-20-19-23-33-37-32(30-49-33)41-38(47)42-37/h3-6,9-12,31-33,37,43H,2,7-8,13-30H2,1H3,(H,39,44)(H,40,45)(H2,41,42,47)/b5-3-,6-4-,11-9-,12-10-/t31-,32+,33+,37+/m1/s1
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| InChIKey |
IHYPHNXBPGENPI-QCUXXTRHSA-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