General Information of the Compound
| Compound ID |
CP0461698
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| Compound Name |
1,6-bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]hexane
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| Structure |
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| Formula |
C44H58N4O4
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| Molecular Weight |
706.972
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| Canonical SMILES |
COc1ccccc1N1CCN(CCc2cccc(OCCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
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| InChI |
InChI=1S/C44H58N4O4/c1-49-43-19-7-5-17-41(43)47-29-25-45(26-30-47)23-21-37-13-11-15-39(35-37)51-33-9-3-4-10-34-52-40-16-12-14-38(36-40)22-24-46-27-31-48(32-28-46)42-18-6-8-20-44(42)50-2/h5-8,11-20,35-36H,3-4,9-10,21-34H2,1-2H3
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| InChIKey |
ZLPMBEZUOFMVBR-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