General Information of the Compound
| Compound ID |
CP0347820
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| Compound Name |
1-[2-(4-Bromo-2,5-dimethoxy-phenyl)-ethyl]-piperidine
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| Structure |
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| Formula |
C15H22BrNO2
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| Molecular Weight |
328.25
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| Canonical SMILES |
COc1cc(CCN2CCCCC2)c(OC)cc1Br
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| InChI |
InChI=1S/C15H22BrNO2/c1-18-14-11-13(16)15(19-2)10-12(14)6-9-17-7-4-3-5-8-17/h10-11H,3-9H2,1-2H3
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| InChIKey |
HCAIUSZHAJZMDI-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