General Information of the Compound
| Compound ID |
CP0727235
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| Compound Name |
3-[(Z)-3-Methoxy-isoxazol-5-ylmethoxyimino]-1-azonia-bicyclo[2.2.2]octane chloride
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| Structure |
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| Formula |
C12H18ClN3O3
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| Molecular Weight |
287.747
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| Canonical SMILES |
COc1cc(CO/N=C2\CN3CCC2CC3)on1.Cl
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| InChI |
InChI=1S/C12H17N3O3.ClH/c1-16-12-6-10(18-14-12)8-17-13-11-7-15-4-2-9(11)3-5-15;/h6,9H,2-5,7-8H2,1H3;1H/b13-11+;
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| InChIKey |
BZPPWOZQYKSIBQ-BNSHTTSQSA-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