General Information of the Compound
| Compound ID |
CP0552268
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| Compound Name |
2-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(3-phenethylbenzofuran-2-yl)ethanol
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| Structure |
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| Formula |
C29H32N2O3
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| Molecular Weight |
456.586
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| Canonical SMILES |
COc1ccccc1N1CCN(CC(O)c2oc3ccccc3c2CCc2ccccc2)CC1
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| InChI |
InChI=1S/C29H32N2O3/c1-33-28-14-8-6-12-25(28)31-19-17-30(18-20-31)21-26(32)29-24(16-15-22-9-3-2-4-10-22)23-11-5-7-13-27(23)34-29/h2-14,26,32H,15-21H2,1H3
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| InChIKey |
HJWAAFLBIVYLHY-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