General Information of the Compound
| Compound ID |
CP0453902
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| Compound Name |
1,2-bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]ethane
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| Structure |
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| Formula |
C40H50N4O4
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| Molecular Weight |
650.864
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| Canonical SMILES |
COc1ccccc1N1CCN(CCc2cccc(OCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
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| InChI |
InChI=1S/C40H50N4O4/c1-45-39-15-5-3-13-37(39)43-25-21-41(22-26-43)19-17-33-9-7-11-35(31-33)47-29-30-48-36-12-8-10-34(32-36)18-20-42-23-27-44(28-24-42)38-14-4-6-16-40(38)46-2/h3-16,31-32H,17-30H2,1-2H3
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| InChIKey |
QEXXYGNBTIMULY-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