General Information of the Compound
| Compound ID |
CP0475797
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| Compound Name |
3-(2-pyridin-2-ylethyl)-3-azabicyclo[3.2.0]heptane-2,4-dione
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| Structure |
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| Formula |
C13H14N2O2
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| Molecular Weight |
230.267
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| Canonical SMILES |
O=C1C2CCC2C(=O)N1CCc1ccccn1
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| InChI |
InChI=1S/C13H14N2O2/c16-12-10-4-5-11(10)13(17)15(12)8-6-9-3-1-2-7-14-9/h1-3,7,10-11H,4-6,8H2
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| InChIKey |
HYNIFAUYAGTNOW-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