General Information of the Compound
| Compound ID |
CP0428646
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| Compound Name |
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
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| Structure |
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| Formula |
C58H84N6O11
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| Molecular Weight |
1041.341
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
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| InChI |
InChI=1S/C58H84N6O11/c1-67-55-13-5-3-11-53(55)63-31-27-61(28-32-63)25-9-7-23-59-57(65)51-19-15-49(16-20-51)47-74-45-43-72-41-39-70-37-35-69-36-38-71-40-42-73-44-46-75-48-50-17-21-52(22-18-50)58(66)60-24-8-10-26-62-29-33-64(34-30-62)54-12-4-6-14-56(54)68-2/h3-6,11-22H,7-10,23-48H2,1-2H3,(H,59,65)(H,60,66)
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| InChIKey |
KXMILNJJEHWZPF-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