General Information of the Compound
| Compound ID |
CP0421131
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| Compound Name |
(1-{2-[2-(4-Bromo-2-methoxymethyl-phenoxymethyl)-benzo[b]thiophen-3-yl]-ethyl}-piperidin-4-yl)-dimethyl-amine
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| Structure |
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| Formula |
C26H33BrN2O2S
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| Molecular Weight |
517.533
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| Canonical SMILES |
COCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(CC1)N(C)C
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| InChI |
InChI=1S/C26H33BrN2O2S/c1-28(2)21-10-13-29(14-11-21)15-12-23-22-6-4-5-7-25(22)32-26(23)18-31-24-9-8-20(27)16-19(24)17-30-3/h4-9,16,21H,10-15,17-18H2,1-3H3
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| InChIKey |
QWYAOOCDROWOKG-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