General Information of the Compound
| Compound ID |
CP0347823
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| Compound Name |
Benzyl-[2-(4-bromo-2,5-dimethoxy-phenyl)-ethyl]-amine
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| Structure |
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| Formula |
C17H20BrNO2
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| Molecular Weight |
350.256
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| Canonical SMILES |
COc1cc(CCNCc2ccccc2)c(OC)cc1Br
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| InChI |
InChI=1S/C17H20BrNO2/c1-20-16-11-15(18)17(21-2)10-14(16)8-9-19-12-13-6-4-3-5-7-13/h3-7,10-11,19H,8-9,12H2,1-2H3
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| InChIKey |
XXLRSXIQVKHKPM-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