General Information of the Compound
| Compound ID |
CP0569116
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| Compound Name |
4-(3-Methyl-butyl)-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 |
C26H32F3N3O3S2
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| Molecular Weight |
555.688
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| Canonical SMILES |
CC(C)CCN1CCN(CC1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C26H32F3N3O3S2/c1-19(2)12-13-30-14-16-31(17-15-30)37(33,34)32(25-20(3)23-6-4-5-7-24(23)36-25)18-21-8-10-22(11-9-21)35-26(27,28)29/h4-11,19H,12-18H2,1-3H3
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| InChIKey |
KEVBRWJKRXTVFI-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