General Information of the Compound
| Compound ID |
CP0375473
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| Compound Name |
1-(2-methoxyphenyl)-4-[[3-methoxy-4-[3-[1-[8-(4-propyltriazol-1-yl)octyl]triazol-4-yl]propoxy]phenyl]methyl]piperazine
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| Structure |
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| Formula |
C37H54N8O3
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| Molecular Weight |
658.892
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| Canonical SMILES |
CCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(CC4)c4ccccc4OC)cc3OC)nn2)nn1
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| InChI |
InChI=1S/C37H54N8O3/c1-4-14-32-29-44(40-38-32)20-11-7-5-6-8-12-21-45-30-33(39-41-45)15-13-26-48-36-19-18-31(27-37(36)47-3)28-42-22-24-43(25-23-42)34-16-9-10-17-35(34)46-2/h9-10,16-19,27,29-30H,4-8,11-15,20-26,28H2,1-3H3
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| InChIKey |
RRSNTPLBDRZYRF-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