General Information of the Compound
| Compound ID |
CP0530777
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| Compound Name |
1,3-bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]propane
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| Structure |
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| Formula |
C41H52N4O4
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| Molecular Weight |
664.891
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| Canonical SMILES |
COc1ccccc1N1CCN(CCc2cccc(OCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
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| InChI |
InChI=1S/C41H52N4O4/c1-46-40-16-5-3-14-38(40)44-26-22-42(23-27-44)20-18-34-10-7-12-36(32-34)48-30-9-31-49-37-13-8-11-35(33-37)19-21-43-24-28-45(29-25-43)39-15-4-6-17-41(39)47-2/h3-8,10-17,32-33H,9,18-31H2,1-2H3
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| InChIKey |
MYJTVJZIZDJVKI-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