General Information of the Compound
| Compound ID |
CP0461699
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| Compound Name |
1,4-bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]butane
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| Structure |
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| Formula |
C42H54N4O4
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| Molecular Weight |
678.918
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| Canonical SMILES |
COc1ccccc1N1CCN(CCc2cccc(OCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
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| InChI |
InChI=1S/C42H54N4O4/c1-47-41-17-5-3-15-39(41)45-27-23-43(24-28-45)21-19-35-11-9-13-37(33-35)49-31-7-8-32-50-38-14-10-12-36(34-38)20-22-44-25-29-46(30-26-44)40-16-4-6-18-42(40)48-2/h3-6,9-18,33-34H,7-8,19-32H2,1-2H3
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| InChIKey |
RNKNHGHLOCVTGY-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