General Information of the Compound
| Compound ID |
CP0397501
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| Compound Name |
3-[1-{3-[3,4-Bis-(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 |
C33H34N2O5
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| Molecular Weight |
538.644
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| Canonical SMILES |
COc1ccc(COc2ccc(cc2OCc2ccc(OC)cc2)-c2cc(\C=C3/CN4CCC3CC4)on2)cc1
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| InChI |
InChI=1S/C33H34N2O5/c1-36-28-8-3-23(4-9-28)21-38-32-12-7-26(18-33(32)39-22-24-5-10-29(37-2)11-6-24)31-19-30(40-34-31)17-27-20-35-15-13-25(27)14-16-35/h3-12,17-19,25H,13-16,20-22H2,1-2H3/b27-17+
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| InChIKey |
OXLWKCOVWCVMRM-WPWMEQJKSA-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