General Information of the Compound
| Compound ID |
CP0002186
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| Compound Name |
(5-bromofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
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| Structure |
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| Formula |
C12H15BrN2O2
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| Molecular Weight |
299.168
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| Canonical SMILES |
Brc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
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| InChI |
InChI=1S/C12H15BrN2O2/c13-11-2-1-10(17-11)12(16)15-6-8-3-9(7-15)5-14-4-8/h1-2,8-9,14H,3-7H2
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| InChIKey |
NEWJHZNVOKNDPN-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