General Information of the Compound
| Compound ID |
CP0467346
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| Compound Name |
(1-{2-[2-(4-Bromo-2-trifluoromethyl-phenoxymethyl)-benzo[b]thiophen-3-yl]-ethyl}-piperidin-4-yl)-dimethyl-amine
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| Structure |
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| Formula |
C25H28BrF3N2OS
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| Molecular Weight |
541.477
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C(F)(F)F)sc3ccccc23)CC1
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| InChI |
InChI=1S/C25H28BrF3N2OS/c1-30(2)18-9-12-31(13-10-18)14-11-20-19-5-3-4-6-23(19)33-24(20)16-32-22-8-7-17(26)15-21(22)25(27,28)29/h3-8,15,18H,9-14,16H2,1-2H3
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| InChIKey |
JCYZHZLOVJMVOX-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