General Information of the Compound
| Compound ID |
CP0374760
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| Compound Name |
1-[[3-methoxy-4-[[1-[8-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]octyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C52H68N10O6
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| Molecular Weight |
929.18
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| Canonical SMILES |
COc1cc(CN2CCN(CC2)c2ccccc2OC)ccc1OCc1cn(CCCCCCCCn2cc(COc3ccc(CN4CCN(CC4)c4ccccc4OC)cc3OC)nn2)nn1
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| InChI |
InChI=1S/C52H68N10O6/c1-63-47-17-11-9-15-45(47)59-29-25-57(26-30-59)35-41-19-21-49(51(33-41)65-3)67-39-43-37-61(55-53-43)23-13-7-5-6-8-14-24-62-38-44(54-56-62)40-68-50-22-20-42(34-52(50)66-4)36-58-27-31-60(32-28-58)46-16-10-12-18-48(46)64-2/h9-12,15-22,33-34,37-38H,5-8,13-14,23-32,35-36,39-40H2,1-4H3
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| InChIKey |
ZMVCPWQWTYDCHV-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