General Information of the Compound
| Compound ID |
CP0209002
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| Compound Name |
arylsulfonylpiperazine, 27
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| Synonyms |
2-(4-tosylpiperazin-1-yl)nicotinonitrile
2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
AB00772161-01
AKOS029603555
BDBM32555
CHEMBL404148
MCULE-2636718919
MolPort-005-568-142
Z31097483
ZINC23996035
arylsulfonylpiperazine, 27
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| Structure |
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| Formula |
C17H18N4O2S
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| Molecular Weight |
342.424
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C#N
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| InChI |
InChI=1S/C17H18N4O2S/c1-14-4-6-16(7-5-14)24(22,23)21-11-9-20(10-12-21)17-15(13-18)3-2-8-19-17/h2-8H,9-12H2,1H3
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| InChIKey |
NYLACAAEFWBUQQ-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