General Information of the Compound
| Compound ID |
CP0489788
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| Compound Name |
5-[2-[3-(4-methylsulfonylphenoxy)propyl]-7-azaspiro[3.5]nonan-7-yl]-3-propan-2-yl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C23H33N3O4S
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| Molecular Weight |
447.601
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| Canonical SMILES |
CC(C)c1noc(n1)N1CCC2(CC(CCCOc3ccc(cc3)S(C)(=O)=O)C2)CC1
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| InChI |
InChI=1S/C23H33N3O4S/c1-17(2)21-24-22(30-25-21)26-12-10-23(11-13-26)15-18(16-23)5-4-14-29-19-6-8-20(9-7-19)31(3,27)28/h6-9,17-18H,4-5,10-16H2,1-3H3
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| InChIKey |
SVGDBEIHUBDUHB-UHFFFAOYSA-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