General Information of the Compound
| Compound ID |
CP0179417
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| Compound Name |
arylsulfonylpiperazine, 26
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| Synonyms |
1-(3-nitropyridin-2-yl)-4-tosylpiperazine
1-(4-methylbenzenesulfonyl)-4-(3-nitropyridin-2-yl)piperazine
1-(4-methylphenyl)sulfonyl-4-(3-nitropyridin-2-yl)piperazine
AB00774122-01
AC1PKJ5N
AKOS034151568
BDBM32554
CHEMBL257825
MCULE-2914079043
MolPort-005-603-659
Z31097365
ZINC24082236
arylsulfonylpiperazine, 26
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| Structure |
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| Formula |
C16H18N4O4S
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| Molecular Weight |
362.411
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1[N+]([O-])=O
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| InChI |
InChI=1S/C16H18N4O4S/c1-13-4-6-14(7-5-13)25(23,24)19-11-9-18(10-12-19)16-15(20(21)22)3-2-8-17-16/h2-8H,9-12H2,1H3
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| InChIKey |
JYSIWWVOXFISJK-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