General Information of the Compound
| Compound ID |
CP0540592
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| Compound Name |
tert-butyl 2-[2-(4-methylsulfonylphenoxy)ethyl]-6-azaspiro[2.5]octane-6-carboxylate
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| Structure |
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| Formula |
C21H31NO5S
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| Molecular Weight |
409.548
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CC2CCOc2ccc(cc2)S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C21H31NO5S/c1-20(2,3)27-19(23)22-12-10-21(11-13-22)15-16(21)9-14-26-17-5-7-18(8-6-17)28(4,24)25/h5-8,16H,9-15H2,1-4H3
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| InChIKey |
FQINQESNYNUPLQ-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