General Information of the Compound
| Compound ID |
CP0433980
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| Compound Name |
3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-4-(2'-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C29H36N2O3
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| Molecular Weight |
460.618
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCN2CCN(CC2)c2ccccc2OC)c1
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| InChI |
InChI=1S/C29H36N2O3/c1-32-26-11-7-9-24(23-26)15-16-25-10-3-5-13-28(25)34-22-8-17-30-18-20-31(21-19-30)27-12-4-6-14-29(27)33-2/h3-7,9-14,23H,8,15-22H2,1-2H3
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| InChIKey |
YALDYYSVNQBATO-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT01005, D(2) dopamine receptor