General Information of the Compound
| Compound ID |
CP0453903
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| Compound Name |
1,8-bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]octane
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| Structure |
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| Formula |
C46H62N4O4
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| Molecular Weight |
735.026
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| Canonical SMILES |
COc1ccccc1N1CCN(CCc2cccc(OCCCCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
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| InChI |
InChI=1S/C46H62N4O4/c1-51-45-21-9-7-19-43(45)49-31-27-47(28-32-49)25-23-39-15-13-17-41(37-39)53-35-11-5-3-4-6-12-36-54-42-18-14-16-40(38-42)24-26-48-29-33-50(34-30-48)44-20-8-10-22-46(44)52-2/h7-10,13-22,37-38H,3-6,11-12,23-36H2,1-2H3
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| InChIKey |
QEFAHCDJOZEIAV-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