General Information of the Compound
| Compound ID |
CP0566182
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| Compound Name |
US9815790, 1
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| Structure |
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| Formula |
C37H42Cl2F3N3O7S
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| Molecular Weight |
800.724
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| Canonical SMILES |
COCCOCCOCCOCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C37H42Cl2F3N3O7S/c1-48-16-17-49-18-19-50-20-21-51-22-23-52-35-25-34(43-31-12-14-45(15-13-31)53(46,47)37(40,41)42)32-24-28(6-11-33(32)44-35)36(26-2-7-29(38)8-3-26)27-4-9-30(39)10-5-27/h2-11,24-25,31,36H,12-23H2,1H3,(H,43,44)
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| InChIKey |
SIMAKTBXLAZEHL-UHFFFAOYSA-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