General Information of the Compound
| Compound ID |
CP0756945
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| Compound Name |
3-[(3-Cyano-isoxazol-5-ylmethoxyimino)-methyl]-1-azonia-bicyclo[2.2.2]octane chloride
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| Structure |
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| Formula |
C13H17ClN4O2
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| Molecular Weight |
296.758
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| Canonical SMILES |
Cl.N#Cc1cc(CO/N=C/C2CN3CCC2CC3)on1
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| InChI |
InChI=1S/C13H16N4O2.ClH/c14-6-12-5-13(19-16-12)9-18-15-7-11-8-17-3-1-10(11)2-4-17;/h5,7,10-11H,1-4,8-9H2;1H/b15-7+;
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| InChIKey |
YLNBTPGNAHYZIQ-HAZZGOGXSA-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