General Information of the Compound
| Compound ID |
CP0375474
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| Compound Name |
1-cyclohexyl-4-[[3-methoxy-4-[3-[1-[8-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]octyl]triazol-4-yl]propoxy]phenyl]methyl]piperazine
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| Structure |
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| Formula |
C55H80N10O5
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| Molecular Weight |
961.31
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)C6CCCCC6)cc5OC)nn4)nn3)c(OC)c2)CC1
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| InChI |
InChI=1S/C55H80N10O5/c1-66-51-22-12-11-21-50(51)63-35-31-61(32-36-63)42-46-24-26-53(55(40-46)68-3)70-38-16-18-48-44-65(59-57-48)28-14-7-5-4-6-13-27-64-43-47(56-58-64)17-15-37-69-52-25-23-45(39-54(52)67-2)41-60-29-33-62(34-30-60)49-19-9-8-10-20-49/h11-12,21-26,39-40,43-44,49H,4-10,13-20,27-38,41-42H2,1-3H3
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| InChIKey |
PTGSXEXRDSETGR-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