General Information of the Compound
| Compound ID |
CP0463247
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| Compound Name |
(+/-)-1'-(4-bromobenzyl)-3-(3-hydroxyphenyl)-3,4'-bipiperidine-2,6-dione
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| Structure |
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| Formula |
C23H25BrN2O3
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| Molecular Weight |
457.368
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| Canonical SMILES |
Oc1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1
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| InChI |
InChI=1S/C23H25BrN2O3/c24-19-6-4-16(5-7-19)15-26-12-9-17(10-13-26)23(11-8-21(28)25-22(23)29)18-2-1-3-20(27)14-18/h1-7,14,17,27H,8-13,15H2,(H,25,28,29)
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| InChIKey |
SZXJEBDSXHCANT-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