General Information of the Compound
| Compound ID |
CP0477868
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| Compound Name |
US9422235, 28
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| Structure |
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| Formula |
C19H22Cl2N2O5S
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| Molecular Weight |
461.367
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| Canonical SMILES |
COc1cc(Nc2cc(Cl)c(c(Cl)c2)S(=O)(=O)NCC2CCCO2)cc(OC)c1
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| InChI |
InChI=1S/C19H22Cl2N2O5S/c1-26-15-6-12(7-16(10-15)27-2)23-13-8-17(20)19(18(21)9-13)29(24,25)22-11-14-4-3-5-28-14/h6-10,14,22-23H,3-5,11H2,1-2H3
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| InChIKey |
HEKVBAUMJFZDSE-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