General Information of the Compound
| Compound ID |
CP0531253
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| Compound Name |
4-(2,2,2-Trifluoro-ethyl)-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 |
C23H23F6N3O3S2
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| Molecular Weight |
567.577
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)N1CCN(CC(F)(F)F)CC1
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| InChI |
InChI=1S/C23H23F6N3O3S2/c1-16-19-4-2-3-5-20(19)36-21(16)32(14-17-6-8-18(9-7-17)35-23(27,28)29)37(33,34)31-12-10-30(11-13-31)15-22(24,25)26/h2-9H,10-15H2,1H3
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| InChIKey |
FWBPAKLWXWTOPS-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