General Information of the Compound
| Compound ID |
CP0529097
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| Compound Name |
tert-butyl 4-[6-(4-methylsulfonylphenoxy)hexyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H37NO5S
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| Molecular Weight |
439.618
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCCCCCOc2ccc(cc2)S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C23H37NO5S/c1-23(2,3)29-22(25)24-16-14-19(15-17-24)9-7-5-6-8-18-28-20-10-12-21(13-11-20)30(4,26)27/h10-13,19H,5-9,14-18H2,1-4H3
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| InChIKey |
XFXXDGBYHLONGT-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