General Information of the Compound
| Compound ID |
CP0483289
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| Compound Name |
US9422235, 16
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| Structure |
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| Formula |
C17H19F3N4O4S
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| Molecular Weight |
432.424
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| Canonical SMILES |
COc1cc(OC)nc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)n1
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| InChI |
InChI=1S/C17H19F3N4O4S/c1-27-14-8-15(28-2)24-16(23-14)22-11-5-6-13(12(7-11)17(18,19)20)29(25,26)21-9-10-3-4-10/h5-8,10,21H,3-4,9H2,1-2H3,(H,22,23,24)
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| InChIKey |
RXPZYWZLGCLKTB-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