General Information of the Compound
| Compound ID |
CP0461697
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| Compound Name |
1-(2-methoxyphenyl)-4-[2-[3-[2-[2-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]piperazine
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| Structure |
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| Formula |
C42H54N4O5
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| Molecular Weight |
694.917
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| Canonical SMILES |
COc1ccccc1N1CCN(CCc2cccc(OCCOCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
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| InChI |
InChI=1S/C42H54N4O5/c1-47-41-15-5-3-13-39(41)45-25-21-43(22-26-45)19-17-35-9-7-11-37(33-35)50-31-29-49-30-32-51-38-12-8-10-36(34-38)18-20-44-23-27-46(28-24-44)40-14-4-6-16-42(40)48-2/h3-16,33-34H,17-32H2,1-2H3
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| InChIKey |
SUSCQNVRTVBUTE-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