General Information of the Compound
| Compound ID |
CP0404234
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| Compound Name |
3-[1-{3-[4-(4-Methoxy-benzyloxy)-phenyl]-isoxazol-5-yl}-meth-(Z)-ylidene]-1-aza-bicyclo[2.2.2]octane
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| Structure |
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| Formula |
C25H26N2O3
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| Molecular Weight |
402.494
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| Canonical SMILES |
COc1ccc(COc2ccc(cc2)-c2cc(\C=C3/CN4CCC3CC4)on2)cc1
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| InChI |
InChI=1S/C25H26N2O3/c1-28-22-6-2-18(3-7-22)17-29-23-8-4-20(5-9-23)25-15-24(30-26-25)14-21-16-27-12-10-19(21)11-13-27/h2-9,14-15,19H,10-13,16-17H2,1H3/b21-14+
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| InChIKey |
VUNFWSNZRZSOAP-KGENOOAVSA-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