General Information of the Compound
| Compound ID |
CP0444757
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| Compound Name |
1,12-bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]dodecane
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| Structure |
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| Formula |
C50H70N4O4
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| Molecular Weight |
791.134
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| Canonical SMILES |
COc1ccccc1N1CCN(CCc2cccc(OCCCCCCCCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
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| InChI |
InChI=1S/C50H70N4O4/c1-55-49-25-13-11-23-47(49)53-35-31-51(32-36-53)29-27-43-19-17-21-45(41-43)57-39-15-9-7-5-3-4-6-8-10-16-40-58-46-22-18-20-44(42-46)28-30-52-33-37-54(38-34-52)48-24-12-14-26-50(48)56-2/h11-14,17-26,41-42H,3-10,15-16,27-40H2,1-2H3
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| InChIKey |
FYNHITCDFPPFCP-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