General Information of the Compound
| Compound ID |
CP0540591
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| Compound Name |
tert-butyl 2-[2-(4-methylsulfonylphenoxy)ethyl]-7-azaspiro[3.5]nonane-7-carboxylate
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| Structure |
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| Formula |
C22H33NO5S
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| Molecular Weight |
423.575
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CC(CCOc3ccc(cc3)S(C)(=O)=O)C2)CC1
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| InChI |
InChI=1S/C22H33NO5S/c1-21(2,3)28-20(24)23-12-10-22(11-13-23)15-17(16-22)9-14-27-18-5-7-19(8-6-18)29(4,25)26/h5-8,17H,9-16H2,1-4H3
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| InChIKey |
XNKAQPHPBVHTCY-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