General Information of the Compound
| Compound ID |
CP0298955
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| Compound Name |
1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperazine
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| Synonyms |
1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperazine
CHEMBL597413
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| Structure |
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| Formula |
C18H22N2O2S
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| Molecular Weight |
330.453
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C18H22N2O2S/c1-23(21,22)18-9-5-8-17(14-18)20-12-10-19(11-13-20)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3
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| InChIKey |
DABGEKAEKHHGFN-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
Clinical Information about the Compound