General Information of the Compound
| Compound ID |
CP0523219
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| Compound Name |
4-(3-benzenesulfonylphenyl)piperazine
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| Synonyms |
4-(3-benzenesulfonylphenyl)piperazine
BDBM50193464
CHEMBL212995
KDBOZUADFFNYSM-UHFFFAOYSA-N
SCHEMBL3826873
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| Structure |
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| Formula |
C16H18N2O2S
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| Molecular Weight |
302.399
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| Canonical SMILES |
O=S(=O)(c1ccccc1)c1cccc(c1)N1CCNCC1
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| InChI |
InChI=1S/C16H18N2O2S/c19-21(20,15-6-2-1-3-7-15)16-8-4-5-14(13-16)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2
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| InChIKey |
KDBOZUADFFNYSM-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