General Information of the Compound
| Compound ID |
CP0462938
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| Compound Name |
(1-{2-[2-(4-Bromo-2-methylaminomethyl-phenoxymethyl)-benzo[b]thiophen-3-yl]-ethyl}-piperidin-4-yl)-dimethyl-amine
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| Structure |
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| Formula |
C26H34BrN3OS
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| Molecular Weight |
516.549
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| Canonical SMILES |
CNCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(CC1)N(C)C
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| InChI |
InChI=1S/C26H34BrN3OS/c1-28-17-19-16-20(27)8-9-24(19)31-18-26-23(22-6-4-5-7-25(22)32-26)12-15-30-13-10-21(11-14-30)29(2)3/h4-9,16,21,28H,10-15,17-18H2,1-3H3
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| InChIKey |
JJEHGYRVABHKHF-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