General Information of the Compound
| Compound ID |
CP0451834
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| Compound Name |
4-[(2-bromo-5-methoxyphenyl)methyl]-1-[1-(3,4-dimethoxyphenyl)piperidin-4-yl]piperidine
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| Structure |
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| Formula |
C26H35BrN2O3
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| Molecular Weight |
503.481
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| Canonical SMILES |
COc1ccc(Br)c(CC2CCN(CC2)C2CCN(CC2)c2ccc(OC)c(OC)c2)c1
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| InChI |
InChI=1S/C26H35BrN2O3/c1-30-23-5-6-24(27)20(17-23)16-19-8-12-28(13-9-19)21-10-14-29(15-11-21)22-4-7-25(31-2)26(18-22)32-3/h4-7,17-19,21H,8-16H2,1-3H3
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| InChIKey |
SQGMPCJELRTZPW-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