General Information of the Compound
| Compound ID |
CP0007147
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| Compound Name |
N-[5-[10-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]decyl-methylamino]pentyl]-2-[3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenoxy]acetamide
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| Structure |
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| Formula |
C52H70N8O5S
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| Molecular Weight |
919.25
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
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| InChI |
InChI=1S/C52H70N8O5S/c1-42-54-45(41-66-42)25-23-43-19-18-20-47(35-43)64-40-52(61)53-27-14-11-16-29-57(2)28-15-9-7-5-6-8-10-17-30-60-38-46(55-56-60)39-65-50-26-24-44(36-51(50)63-4)37-58-31-33-59(34-32-58)48-21-12-13-22-49(48)62-3/h12-13,18-22,24,26,35-36,38,41H,5-11,14-17,27-34,37,39-40H2,1-4H3,(H,53,61)
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| InChIKey |
XYQZBAPGVRTOEI-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: PT00854, Metabotropic glutamate receptor 5