General Information of the Compound
| Compound ID |
CP0357928
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| Compound Name |
arylsulfonylpiperazine, 37
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| Structure |
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| Formula |
C21H28N2O3S
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| Molecular Weight |
388.533
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C21H28N2O3S/c1-21(2,3)17-5-11-20(12-6-17)27(24,25)23-15-13-22(14-16-23)18-7-9-19(26-4)10-8-18/h5-12H,13-16H2,1-4H3
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| InChIKey |
JWYKKKRVYAJBJI-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