General Information of the Compound
| Compound ID |
CP0486216
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| Compound Name |
1-[[3-methoxy-4-[3-[1-[2-[2-[2-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C54H72N10O8
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| Molecular Weight |
989.232
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| Canonical SMILES |
COc1cc(CN2CCN(CC2)c2ccccc2OC)ccc1OCCCc1cn(CCOCCOCCn2cc(CCCOc3ccc(CN4CCN(CC4)c4ccccc4OC)cc3OC)nn2)nn1
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| InChI |
InChI=1S/C54H72N10O8/c1-65-49-15-7-5-13-47(49)61-25-21-59(22-26-61)39-43-17-19-51(53(37-43)67-3)71-31-9-11-45-41-63(57-55-45)29-33-69-35-36-70-34-30-64-42-46(56-58-64)12-10-32-72-52-20-18-44(38-54(52)68-4)40-60-23-27-62(28-24-60)48-14-6-8-16-50(48)66-2/h5-8,13-20,37-38,41-42H,9-12,21-36,39-40H2,1-4H3
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| InChIKey |
ZUGNJYHFOIGGOO-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