General Information of the Compound
| Compound ID |
CP0412083
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| Compound Name |
N-(4-Fluoro-3-trifluoromethyl-benzyl)-N-(3-methyl-benzo[b]-thiophen-2-yl)-N′-(butyric acid)-sulfonamide
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| Structure |
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| Formula |
C21H20F4N2O4S2
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| Molecular Weight |
504.527
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)NCCCC(O)=O
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| InChI |
InChI=1S/C21H20F4N2O4S2/c1-13-15-5-2-3-6-18(15)32-20(13)27(33(30,31)26-10-4-7-19(28)29)12-14-8-9-17(22)16(11-14)21(23,24)25/h2-3,5-6,8-9,11,26H,4,7,10,12H2,1H3,(H,28,29)
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| InChIKey |
AEFZSAXWIKNGBJ-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