General Information of the Compound
| Compound ID |
CP0569184
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| Compound Name |
4-[2-(1,3-benzodioxol-4-ylmethylamino)ethyl]-2,5-dimethoxybenzonitrile
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| Structure |
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| Formula |
C19H20N2O4
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| Molecular Weight |
340.379
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| Canonical SMILES |
COc1cc(C#N)c(OC)cc1CCNCc1cccc2OCOc12
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| InChI |
InChI=1S/C19H20N2O4/c1-22-17-9-15(10-20)18(23-2)8-13(17)6-7-21-11-14-4-3-5-16-19(14)25-12-24-16/h3-5,8-9,21H,6-7,11-12H2,1-2H3
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| InChIKey |
CFFGJOIVRPVLGJ-UHFFFAOYSA-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