General Information of the Compound
| Compound ID |
CP0356298
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| Compound Name |
5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C24H26N2O4
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| Molecular Weight |
406.482
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| Canonical SMILES |
O=C1OCc2cc(CCN3CCN(CCc4ccc5C(=O)OCc5c4)CC3)ccc12
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| InChI |
InChI=1S/C24H26N2O4/c27-23-21-3-1-17(13-19(21)15-29-23)5-7-25-9-11-26(12-10-25)8-6-18-2-4-22-20(14-18)16-30-24(22)28/h1-4,13-14H,5-12,15-16H2
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| InChIKey |
PYUXNNYRCHVGKZ-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