General Information of the Compound
| Compound ID |
CP0126359
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| Compound Name |
(1R,2S)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-propan-1-ol
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| Structure |
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| Formula |
C11H16BrNO3
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| Molecular Weight |
290.157
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| Canonical SMILES |
COc1cc([C@@H](O)[C@H](C)N)c(OC)cc1Br
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| InChI |
InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11-/m0/s1
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| InChIKey |
YLLHAHHNKOUOSR-KGFZYKRKSA-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