General Information of the Compound
| Compound ID |
CP0397734
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| Compound Name |
3-[1-{3-[3,4-Bis-(4-methoxy-benzyloxy)-phenyl]-isoxazol-5-yl}-meth-(E)-ylidene]-1-aza-bicyclo[2.2.1]heptane
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| Structure |
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| Formula |
C32H32N2O5
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| Molecular Weight |
524.617
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| Canonical SMILES |
COc1ccc(COc2ccc(cc2OCc2ccc(OC)cc2)-c2cc(\C=C3\CN4CCC3C4)on2)cc1
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| InChI |
InChI=1S/C32H32N2O5/c1-35-27-8-3-22(4-9-27)20-37-31-12-7-24(16-32(31)38-21-23-5-10-28(36-2)11-6-23)30-17-29(39-33-30)15-26-19-34-14-13-25(26)18-34/h3-12,15-17,25H,13-14,18-21H2,1-2H3/b26-15-
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| InChIKey |
IBWKUSSSMFKEDB-YSMPRRRNSA-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