General Information of the Compound
| Compound ID |
CP0306453
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| Compound Name |
N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]-4-phenylbutan-1-amine
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| Structure |
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| Formula |
C20H26BrNO2
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| Molecular Weight |
392.337
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| Canonical SMILES |
COc1cc(CCNCCCCc2ccccc2)c(OC)cc1Br
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| InChI |
InChI=1S/C20H26BrNO2/c1-23-19-15-18(21)20(24-2)14-17(19)11-13-22-12-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,14-15,22H,6-7,10-13H2,1-2H3
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| InChIKey |
OCEJXUHFWIUKKV-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