General Information of the Compound
| Compound ID |
CP0548334
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| Compound Name |
tert-butyl 4-[3-(4-methylsulfonylphenoxy)propyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C20H31NO5S
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| Molecular Weight |
397.537
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCCOc2ccc(cc2)S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C20H31NO5S/c1-20(2,3)26-19(22)21-13-11-16(12-14-21)6-5-15-25-17-7-9-18(10-8-17)27(4,23)24/h7-10,16H,5-6,11-15H2,1-4H3
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| InChIKey |
RXNMLYOYTPHYJJ-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