General Information of the Compound
| Compound ID |
CP0462788
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| Compound Name |
US8895592, 14
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| Formula |
C23H30F3N3O2S
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| Molecular Weight |
469.573
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| Canonical SMILES |
CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1OC[C@@H]1CCN1)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C23H30F3N3O2S/c1-14(2)11-29-12-19(22(3,4)5)32-21(29)28-20(30)17-10-15(23(24,25)26)6-7-18(17)31-13-16-8-9-27-16/h6-7,10,12,14,16,27H,8-9,11,13H2,1-5H3/b28-21-/t16-/m0/s1
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| InChIKey |
NQRONVULFWEDBS-DOGFXQGNSA-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