General Information of the Compound
| Compound ID |
CP0507278
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| Compound Name |
3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[2.2.2]octane
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| Structure |
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| Formula |
C12H16N2O
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| Molecular Weight |
204.273
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| Canonical SMILES |
Cc1cc(\C=C2/CN3CCC2CC3)on1
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| InChI |
InChI=1S/C12H16N2O/c1-9-6-12(15-13-9)7-11-8-14-4-2-10(11)3-5-14/h6-7,10H,2-5,8H2,1H3/b11-7+
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| InChIKey |
WJMKWBQPBBUJHD-YRNVUSSQSA-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