General Information of the Compound
| Compound ID |
CP0289001
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| Compound Name |
1-(3-Phenylpropyl)-4-(phenylsulfonyl)piperidine
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| Synonyms |
4-(Phenylsulfonyl)-1-hydrocinnamylpiperidine
4-Benzenesulfonyl-1-(3-phenyl-propyl)-piperidine
BDBM50108708
CHEMBL148565
ZINC13472074
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| Structure |
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| Formula |
C20H25NO2S
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| Molecular Weight |
343.492
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| Canonical SMILES |
O=S(=O)(C1CCN(CCCc2ccccc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C20H25NO2S/c22-24(23,19-11-5-2-6-12-19)20-13-16-21(17-14-20)15-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12,20H,7,10,13-17H2
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| InChIKey |
PZLOABUPAFZHAF-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Clinical Information about the Compound