General Information of the Compound
| Compound ID |
CP0209192
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| Compound Name |
N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]-3-phenylpropan-1-amine
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| Structure |
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| Formula |
C19H24BrNO2
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| Molecular Weight |
378.31
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| Canonical SMILES |
COc1cc(CCNCCCc2ccccc2)c(OC)cc1Br
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| InChI |
InChI=1S/C19H24BrNO2/c1-22-18-14-17(20)19(23-2)13-16(18)10-12-21-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14,21H,6,9-12H2,1-2H3
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| InChIKey |
RRGFJAFLSZGXSW-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