General Information of the Compound
| Compound ID |
CP0463245
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| Compound Name |
(+/-)-1'-(4-bromobenzyl)-3-(pyridin-4-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)c2ccncc2)cc1
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| InChI |
InChI=1S/C22H24BrN3O2/c23-19-3-1-16(2-4-19)15-26-13-8-18(9-14-26)22(17-6-11-24-12-7-17)10-5-20(27)25-21(22)28/h1-4,6-7,11-12,18H,5,8-10,13-15H2,(H,25,27,28)
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| InChIKey |
HGHBFHADCALABU-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