General Information of the Compound
| Compound ID |
CP0569117
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| Compound Name |
N-(3-Bromo-benzo[b]thiophen-2-yl)-N-(4-fluoro-3-trifluorobenzyl)-(N-hexanoic acid)-sulfonamide
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| Structure |
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| Formula |
C21H19BrF4N2O4S2
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| Molecular Weight |
583.423
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| Canonical SMILES |
OC(=O)CCCCNS(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C21H19BrF4N2O4S2/c22-19-14-5-1-2-6-17(14)33-20(19)28(34(31,32)27-10-4-3-7-18(29)30)12-13-8-9-16(23)15(11-13)21(24,25)26/h1-2,5-6,8-9,11,27H,3-4,7,10,12H2,(H,29,30)
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| InChIKey |
QDEPSOMHSGYPLN-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