General Information of the Compound
| Compound ID |
CP0440611
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| Compound Name |
(+/-)-3-(1'-(4-bromobenzyl)-2,6-dioxo-3,4'-bipiperidin-3-yl)-4-methoxybenzenesulfonic acid
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| Structure |
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| Formula |
C24H27BrN2O6S
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| Molecular Weight |
551.459
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| Canonical SMILES |
COc1ccc(cc1C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1)S(O)(=O)=O
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| InChI |
InChI=1S/C24H27BrN2O6S/c1-33-21-7-6-19(34(30,31)32)14-20(21)24(11-8-22(28)26-23(24)29)17-9-12-27(13-10-17)15-16-2-4-18(25)5-3-16/h2-7,14,17H,8-13,15H2,1H3,(H,26,28,29)(H,30,31,32)
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| InChIKey |
OAMHMUWIKBFYCK-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