General Information of the Compound
| Compound ID |
CP0527007
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| Compound Name |
(+/-)-1'-(4-bromobenzyl)-3-(pyridin-3-yl)-3,4'-bipiperidine-2,6-dione
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| Structure |
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| Formula |
C22H24BrN3O2
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| Molecular Weight |
442.357
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| Canonical SMILES |
Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2cccnc2)cc1
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| InChI |
InChI=1S/C22H24BrN3O2/c23-19-5-3-16(4-6-19)15-26-12-8-17(9-13-26)22(18-2-1-11-24-14-18)10-7-20(27)25-21(22)28/h1-6,11,14,17H,7-10,12-13,15H2,(H,25,27,28)
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| InChIKey |
KNJCWXBUFYMYIS-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