General Information of the Compound
| Compound ID |
CP0463611
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| Compound Name |
bis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] icosanedioate
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| Structure |
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| Formula |
C62H80Cl2F2N2O6
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| Molecular Weight |
1058.232
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCCCCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C62H80Cl2F2N2O6/c63-53-31-27-51(28-32-53)61(39-45-67(46-40-61)43-17-19-57(69)49-23-35-55(65)36-24-49)73-59(71)21-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22-60(72)74-62(52-29-33-54(64)34-30-52)41-47-68(48-42-62)44-18-20-58(70)50-25-37-56(66)38-26-50/h23-38H,1-22,39-48H2
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| InChIKey |
ZUOIZLRETXHGDT-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