General Information of the Compound
| Compound ID |
CP0399939
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| Compound Name |
(+/-)-1'-(4-bromobenzyl)-1-(2-methoxyethyl)-3-phenyl-3,4'-bipiperidine-2,6-dione
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| Structure |
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| Formula |
C26H31BrN2O3
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| Molecular Weight |
499.449
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| Canonical SMILES |
COCCN1C(=O)CCC(C2CCN(Cc3ccc(Br)cc3)CC2)(C1=O)c1ccccc1
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| InChI |
InChI=1S/C26H31BrN2O3/c1-32-18-17-29-24(30)11-14-26(25(29)31,21-5-3-2-4-6-21)22-12-15-28(16-13-22)19-20-7-9-23(27)10-8-20/h2-10,22H,11-19H2,1H3
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| InChIKey |
BIKSUAIHZAPQMH-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