General Information of the Compound
| Compound ID |
CP0432803
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| Compound Name |
1-(3-bromobenzyl)-3-(4-phenylpiperazin-1-yl)piperidin-4-ol
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| Structure |
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| Formula |
C22H28BrN3O
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| Molecular Weight |
430.39
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| Canonical SMILES |
OC1CCN(Cc2cccc(Br)c2)CC1N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C22H28BrN3O/c23-19-6-4-5-18(15-19)16-24-10-9-22(27)21(17-24)26-13-11-25(12-14-26)20-7-2-1-3-8-20/h1-8,15,21-22,27H,9-14,16-17H2
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| InChIKey |
KTOAHCJQSOZXQM-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