General Information of the Compound
| Compound ID |
CP0534451
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| Compound Name |
2-[1-(2,6-dimethylphenyl)sulfonylpiperidin-4-yl]oxypyrazine
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| Formula |
C17H21N3O3S
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| Molecular Weight |
347.44
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| Canonical SMILES |
Cc1cccc(C)c1S(=O)(=O)N1CCC(CC1)Oc1cnccn1
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| InChI |
InChI=1S/C17H21N3O3S/c1-13-4-3-5-14(2)17(13)24(21,22)20-10-6-15(7-11-20)23-16-12-18-8-9-19-16/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3
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| InChIKey |
UQZCQVBPNIQDTI-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