General Information of the Compound
| Compound ID |
CP0440160
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| Compound Name |
US9815790, 2
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| Structure |
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| Formula |
C43H54Cl2F3N3O10S
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| Molecular Weight |
932.883
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| Canonical SMILES |
COCCOCCOCCOCCOCCOCCOCCOc1cc(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/C43H54Cl2F3N3O10S/c1-54-16-17-55-18-19-56-20-21-57-22-23-58-24-25-59-26-27-60-28-29-61-41-31-40(49-37-12-14-51(15-13-37)62(52,53)43(46,47)48)38-30-34(6-11-39(38)50-41)42(32-2-7-35(44)8-3-32)33-4-9-36(45)10-5-33/h2-11,30-31,37,42H,12-29H2,1H3,(H,49,50)
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| InChIKey |
DIXRYIXTTKWMBM-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