General Information of the Compound
| Compound ID |
CP0498376
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| Compound Name |
4-(4-bromophenylsulfonyl)-1,4-diazabicyclo[3.2.2]nonane
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| Structure |
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| Formula |
C13H17BrN2O2S
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| Molecular Weight |
345.262
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| Canonical SMILES |
Brc1ccc(cc1)S(=O)(=O)N1CCN2CCC1CC2
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| InChI |
InChI=1S/C13H17BrN2O2S/c14-11-1-3-13(4-2-11)19(17,18)16-10-9-15-7-5-12(16)6-8-15/h1-4,12H,5-10H2
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| InChIKey |
FHFIEZAUJWXORF-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