General Information of the Compound
| Compound ID |
CP0057817
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| Compound Name |
2-[[2-(4-bromo-2,5-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenol
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| Structure |
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| Formula |
C18H22BrNO4
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| Molecular Weight |
396.281
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| Canonical SMILES |
COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1O
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| InChI |
InChI=1S/C18H22BrNO4/c1-22-15-6-4-5-13(18(15)21)11-20-8-7-12-9-17(24-3)14(19)10-16(12)23-2/h4-6,9-10,20-21H,7-8,11H2,1-3H3
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| InChIKey |
ITHRILISLCBUSI-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