General Information of the Compound
| Compound ID |
CP0512126
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| Compound Name |
4-Methyl-piperazine-1-sulfonic acid (3-methyl-benzo[b]thiophen-2-yl)-(4-trifluoromethoxy-benzyl)-sulfamoyl]-amide
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| Structure |
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| Formula |
C22H24F3N3O3S2
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| Molecular Weight |
499.58
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| Canonical SMILES |
CN1CCN(CC1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C22H24F3N3O3S2/c1-16-19-5-3-4-6-20(19)32-21(16)28(33(29,30)27-13-11-26(2)12-14-27)15-17-7-9-18(10-8-17)31-22(23,24)25/h3-10H,11-15H2,1-2H3
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| InChIKey |
APOQHIKBILSJPC-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