General Information of the Compound
| Compound ID |
CP0462717
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| Compound Name |
US8895592, 20
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| Formula |
C23H26F3N3O3S
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| Molecular Weight |
481.54
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| Canonical SMILES |
CCCCn1c2cnccc2s\c1=N/C(=O)c1cc(ccc1OCCC(C)(C)O)C(F)(F)F
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| InChI |
InChI=1S/C23H26F3N3O3S/c1-4-5-11-29-17-14-27-10-8-19(17)33-21(29)28-20(30)16-13-15(23(24,25)26)6-7-18(16)32-12-9-22(2,3)31/h6-8,10,13-14,31H,4-5,9,11-12H2,1-3H3/b28-21-
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| InChIKey |
BXEXGNZMBZDRTP-HFTWOUSFSA-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