General Information of the Compound
| Compound ID |
CP0672354
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| Compound Name |
3-[(Z)-3-Methoxy-isoxazol-5-ylmethoxyimino]-1-azonia-bicyclo[2.2.1]heptane chloride
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| Structure |
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| Formula |
C11H16ClN3O3
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| Molecular Weight |
273.72
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| Canonical SMILES |
COc1cc(CO/N=C2\CN3CCC2C3)on1.Cl
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| InChI |
InChI=1S/C11H15N3O3.ClH/c1-15-11-4-9(17-13-11)7-16-12-10-6-14-3-2-8(10)5-14;/h4,8H,2-3,5-7H2,1H3;1H/b12-10+;
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| InChIKey |
YOCHSCVOCATVRE-VHPXAQPISA-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