General Information of the Compound
Compound ID |
CP0709872
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Compound Name |
2-(4-bromo-2,5-dimethoxyphenyl)-N-(2-fluoro-3-methoxybenzyl)ethanamine
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Structure |
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Formula |
C18H21BrFNO3
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Molecular Weight |
398.272
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Canonical SMILES |
COc1cc(CCNCc2cccc(OC)c2F)c(OC)cc1Br
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InChI |
InChI=1S/C18H21BrFNO3/c1-22-15-6-4-5-13(18(15)20)11-21-8-7-12-9-17(24-3)14(19)10-16(12)23-2/h4-6,9-10,21H,7-8,11H2,1-3H3
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InChIKey |
GXBUJLFNLNQTNI-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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