General Information of the Compound
| Compound ID |
CP0273208
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| Compound Name |
(1S,2R)-2-(4-Bromo-2,5-dimethoxy-phenyl)-2-methoxy-1-methyl-ethylamine
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| Structure |
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| Formula |
C12H18BrNO3
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| Molecular Weight |
304.184
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| Canonical SMILES |
CO[C@@H]([C@H](C)N)c1cc(OC)c(Br)cc1OC
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| InChI |
InChI=1S/C12H18BrNO3/c1-7(14)12(17-4)8-5-11(16-3)9(13)6-10(8)15-2/h5-7,12H,14H2,1-4H3/t7-,12-/m0/s1
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| InChIKey |
JZRYUHHXNUHBTB-MADCSZMMSA-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