General Information of the Compound
| Compound ID |
CP0562346
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| Compound Name |
4-[5-[[2-(5-methoxy-1-benzofuran-3-yl)ethylamino]methyl]furan-2-yl]phenol
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| Structure |
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| Formula |
C22H21NO4
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| Molecular Weight |
363.413
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| Canonical SMILES |
COc1ccc2occ(CCNCc3ccc(o3)-c3ccc(O)cc3)c2c1
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| InChI |
InChI=1S/C22H21NO4/c1-25-18-6-9-22-20(12-18)16(14-26-22)10-11-23-13-19-7-8-21(27-19)15-2-4-17(24)5-3-15/h2-9,12,14,23-24H,10-11,13H2,1H3
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| InChIKey |
IOXYKQXENMYUPM-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