General Information of the Compound
| Compound ID |
CP0472489
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| Compound Name |
US8895592, 17
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| Formula |
C22H24F3N3O2S
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| Molecular Weight |
451.514
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| Canonical SMILES |
CC(C)(C)c1cn(CCC(F)(F)F)\c(=N\C(=O)c2cc(ccc2OC2CCC2)C#N)s1
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| InChI |
InChI=1S/C22H24F3N3O2S/c1-21(2,3)18-13-28(10-9-22(23,24)25)20(31-18)27-19(29)16-11-14(12-26)7-8-17(16)30-15-5-4-6-15/h7-8,11,13,15H,4-6,9-10H2,1-3H3/b27-20-
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| InChIKey |
YZAGAKKIFVEGNI-OOAXWGSJSA-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: PT02333, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2