General Information of the Compound
| Compound ID |
CP0490279
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| Compound Name |
(+/-)-4-(1'-(4-bromobenzyl)-2,6-dioxo-3,4'-bipiperidin-3-yl)benzoic acid
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| Structure |
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| Formula |
C24H25BrN2O4
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| Molecular Weight |
485.378
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1
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| InChI |
InChI=1S/C24H25BrN2O4/c25-20-7-1-16(2-8-20)15-27-13-10-19(11-14-27)24(12-9-21(28)26-23(24)31)18-5-3-17(4-6-18)22(29)30/h1-8,19H,9-15H2,(H,29,30)(H,26,28,31)
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| InChIKey |
UPVYFHOSLXYKOX-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