General Information of the Compound
| Compound ID |
CP0506321
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| Compound Name |
(+/-)-1'-(4-bromobenzyl)-3-(3-methoxyphenyl)-3,4'-bipiperidine-2,6-dione
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| Structure |
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| Formula |
C24H27BrN2O3
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| Molecular Weight |
471.395
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| Canonical SMILES |
COc1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1
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| InChI |
InChI=1S/C24H27BrN2O3/c1-30-21-4-2-3-19(15-21)24(12-9-22(28)26-23(24)29)18-10-13-27(14-11-18)16-17-5-7-20(25)8-6-17/h2-8,15,18H,9-14,16H2,1H3,(H,26,28,29)
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| InChIKey |
XSYXVRSGXZPMBZ-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