General Information of the Compound
| Compound ID |
CP0535625
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| Compound Name |
US8859596, 174
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| Formula |
C22H30F4N4O2S
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| Molecular Weight |
490.567
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| Canonical SMILES |
CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCCF)C(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C22H30F4N4O2S/c1-20(2,3)18-28-30(12-8-7-11-23)19(33-18)27-17(31)15-13-14(22(24,25)26)9-10-16(15)32-29-21(4,5)6/h9-10,13,29H,7-8,11-12H2,1-6H3/b27-19-
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| InChIKey |
WWNIOABTLLDVED-DIBXZPPDSA-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