General Information of the Compound
| Compound ID |
CP0460185
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| Compound Name |
1-[[3-methoxy-4-[3-[1-[2-[2-[2-[2-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C56H76N10O9
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| Molecular Weight |
1033.285
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| Canonical SMILES |
COc1cc(CN2CCN(CC2)c2ccccc2OC)ccc1OCCCc1cn(CCOCCOCCOCCn2cc(CCCOc3ccc(CN4CCN(CC4)c4ccccc4OC)cc3OC)nn2)nn1
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| InChI |
InChI=1S/C56H76N10O9/c1-67-51-15-7-5-13-49(51)63-25-21-61(22-26-63)41-45-17-19-53(55(39-45)69-3)74-31-9-11-47-43-65(59-57-47)29-33-71-35-37-73-38-36-72-34-30-66-44-48(58-60-66)12-10-32-75-54-20-18-46(40-56(54)70-4)42-62-23-27-64(28-24-62)50-14-6-8-16-52(50)68-2/h5-8,13-20,39-40,43-44H,9-12,21-38,41-42H2,1-4H3
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| InChIKey |
XPOOQWFDTCQYTN-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