General Information of the Compound
| Compound ID |
CP0558190
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| Compound Name |
US8895592, 3
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| Formula |
C24H27F3N2O3S
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| Molecular Weight |
480.552
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| Canonical SMILES |
CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1OCc1ccco1)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C24H27F3N2O3S/c1-15(2)12-29-13-20(23(3,4)5)33-22(29)28-21(30)18-11-16(24(25,26)27)8-9-19(18)32-14-17-7-6-10-31-17/h6-11,13,15H,12,14H2,1-5H3/b28-22-
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| InChIKey |
YDAZFURDNJJCIQ-SLMZUGIISA-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: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2