General Information of the Compound
| Compound ID |
CP0920867
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| Compound Name |
S-(R)-1-((2S,3R)-1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl)-3-phenylpropyl ethanethioate
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| Structure |
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| Formula |
C26H24FNO3S
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| Molecular Weight |
449.547
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| Canonical SMILES |
CC(=O)SC(CCc1ccccc1)[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1
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| InChI |
InChI=1S/C26H24FNO3S/c1-17(29)32-23(16-7-18-5-3-2-4-6-18)24-25(19-8-14-22(30)15-9-19)28(26(24)31)21-12-10-20(27)11-13-21/h2-6,8-15,23-25,30H,7,16H2,1H3/t23?,24-,25-/m1/s1
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| InChIKey |
CFRFZOJZPLDJPP-OPWSDZRHSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2