General Information of the Compound
| Compound ID |
CP0479115
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| Compound Name |
1-[[3-methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C60H84N10O6
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| Molecular Weight |
1041.396
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(OCCCCc3cn(CCCCCCCCCCn4cc(CCCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1
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| InChI |
InChI=1S/C60H84N10O6/c1-71-55-25-13-11-23-53(55)67-37-33-65(34-38-67)45-49-27-29-57(59(43-49)73-3)75-41-19-15-21-51-47-69(63-61-51)31-17-9-7-5-6-8-10-18-32-70-48-52(62-64-70)22-16-20-42-76-58-30-28-50(44-60(58)74-4)46-66-35-39-68(40-36-66)54-24-12-14-26-56(54)72-2/h11-14,23-30,43-44,47-48H,5-10,15-22,31-42,45-46H2,1-4H3
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| InChIKey |
KGEGCSUUIDNIBO-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