General Information of the Compound
| Compound ID |
CP0005207
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| Compound Name |
3,7-diazabicyclo[3.3.1]nonan-3-yl(pyridin-4-yl)methanone
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| Structure |
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| Formula |
C13H17N3O
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| Molecular Weight |
231.299
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| Canonical SMILES |
O=C(N1CC2CNCC(C2)C1)c1ccncc1
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| InChI |
InChI=1S/C13H17N3O/c17-13(12-1-3-14-4-2-12)16-8-10-5-11(9-16)7-15-6-10/h1-4,10-11,15H,5-9H2
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| InChIKey |
OWGALOIRPXUFMD-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