General Information of the Compound
| Compound ID |
CP0049759
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| Compound Name |
2-(4-bromo-2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]ethanamine
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| Structure |
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| Formula |
C18H22BrNO2
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| Molecular Weight |
364.283
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| Canonical SMILES |
COc1cc(CCNCc2ccc(C)cc2)c(OC)cc1Br
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| InChI |
InChI=1S/C18H22BrNO2/c1-13-4-6-14(7-5-13)12-20-9-8-15-10-18(22-3)16(19)11-17(15)21-2/h4-7,10-11,20H,8-9,12H2,1-3H3
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| InChIKey |
FZBVRJKJVDTPEY-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