General Information of the Compound
| Compound ID |
CP0252379
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| Compound Name |
2-(4-bromo-2,5-dimethoxyphenyl)-N-(2,3-dihydro-1-benzofuran-7-ylmethyl)ethanamine
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| Structure |
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| Formula |
C19H22BrNO3
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| Molecular Weight |
392.293
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| Canonical SMILES |
COc1cc(CCNCc2cccc3CCOc23)c(OC)cc1Br
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| InChI |
InChI=1S/C19H22BrNO3/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,10-11,21H,6-9,12H2,1-2H3
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| InChIKey |
QBSWOTCICIQFIN-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