General Information of the Compound
| Compound ID |
CP0518059
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| Compound Name |
tert-butyl 2-[4-(4-methylsulfonylphenoxy)butyl]-7-azaspiro[3.5]nonane-7-carboxylate
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| Structure |
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| Formula |
C24H37NO5S
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| Molecular Weight |
451.629
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CC(CCCCOc3ccc(cc3)S(C)(=O)=O)C2)CC1
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| InChI |
InChI=1S/C24H37NO5S/c1-23(2,3)30-22(26)25-14-12-24(13-15-25)17-19(18-24)7-5-6-16-29-20-8-10-21(11-9-20)31(4,27)28/h8-11,19H,5-7,12-18H2,1-4H3
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| InChIKey |
PRFGSXMAIYDMAO-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