General Information of the Compound
| Compound ID |
CP0548850
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| Compound Name |
US8846730, 41
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| Formula |
C23H25F3N4O3S
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| Molecular Weight |
494.539
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| Canonical SMILES |
COCCn1cc(s\c1=N/C(=O)c1cc(ccc1OCc1cnccn1)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C23H25F3N4O3S/c1-22(2,3)19-13-30(9-10-32-4)21(34-19)29-20(31)17-11-15(23(24,25)26)5-6-18(17)33-14-16-12-27-7-8-28-16/h5-8,11-13H,9-10,14H2,1-4H3/b29-21-
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| InChIKey |
NOIHSWWKZBMOOF-ANYBSYGZSA-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