General Information of the Compound
| Compound ID |
CP0407061
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| Compound Name |
US8846730, 46
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| Formula |
C28H38F3N3O3S
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| Molecular Weight |
553.691
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| Canonical SMILES |
CC(C)N1CCC[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C28H38F3N3O3S/c1-18(2)34-12-6-8-20(34)17-37-23-11-10-19(28(29,30)31)14-22(23)25(35)32-26-33(15-21-9-7-13-36-21)16-24(38-26)27(3,4)5/h10-11,14,16,18,20-21H,6-9,12-13,15,17H2,1-5H3/b32-26-/t20-,21+/m0/s1
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| InChIKey |
ALFABUCBNSTHNO-DAAIBCRRSA-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