General Information of the Compound
| Compound ID |
CP0519926
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| Compound Name |
tert-butyl 2-[3-(4-methylsulfonylphenoxy)propyl]-7-azaspiro[3.5]nonane-7-carboxylate
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| Structure |
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| Formula |
C23H35NO5S
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| Molecular Weight |
437.602
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CC(CCCOc3ccc(cc3)S(C)(=O)=O)C2)CC1
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| InChI |
InChI=1S/C23H35NO5S/c1-22(2,3)29-21(25)24-13-11-23(12-14-24)16-18(17-23)6-5-15-28-19-7-9-20(10-8-19)30(4,26)27/h7-10,18H,5-6,11-17H2,1-4H3
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| InChIKey |
KYEUEHIEGVMGCC-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