General Information of the Compound
| Compound ID |
CP0374763
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| Compound Name |
1-[[3-methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C50H64N10O8
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| Molecular Weight |
933.124
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCOCCOCCn4cc(COc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1
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| InChI |
InChI=1S/C50H64N10O8/c1-61-45-11-7-5-9-43(45)57-21-17-55(18-22-57)33-39-13-15-47(49(31-39)63-3)67-37-41-35-59(53-51-41)25-27-65-29-30-66-28-26-60-36-42(52-54-60)38-68-48-16-14-40(32-50(48)64-4)34-56-19-23-58(24-20-56)44-10-6-8-12-46(44)62-2/h5-16,31-32,35-36H,17-30,33-34,37-38H2,1-4H3
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| InChIKey |
LQTCRFLMOJHQHE-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