General Information of the Compound
| Compound ID |
CP0428645
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| Compound Name |
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
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| Structure |
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| Formula |
C56H80N6O11
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| Molecular Weight |
1013.287
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
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| InChI |
InChI=1S/C56H80N6O11/c1-65-53-11-5-3-9-51(53)61-29-25-59(26-30-61)23-7-21-57-55(63)49-17-13-47(14-18-49)45-72-43-41-70-39-37-68-35-33-67-34-36-69-38-40-71-42-44-73-46-48-15-19-50(20-16-48)56(64)58-22-8-24-60-27-31-62(32-28-60)52-10-4-6-12-54(52)66-2/h3-6,9-20H,7-8,21-46H2,1-2H3,(H,57,63)(H,58,64)
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| InChIKey |
JPDDFPJRGRBBJU-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor