General Information of the Compound
| Compound ID |
CP0448593
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| Compound Name |
4-Benzenesulfonyl-1-benzyl-piperidine
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| Structure |
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| Formula |
C18H21NO2S
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| Molecular Weight |
315.438
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| Canonical SMILES |
O=S(=O)(C1CCN(Cc2ccccc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C18H21NO2S/c20-22(21,17-9-5-2-6-10-17)18-11-13-19(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2
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| InChIKey |
VHVBJIUGIKWGKJ-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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor