General Information of the Compound
Compound ID |
CP0385668
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Compound Name |
bis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] decanedioate
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Structure |
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Formula |
C52H60Cl2F2N2O6
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Molecular Weight |
917.962
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Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
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InChI |
InChI=1S/C52H60Cl2F2N2O6/c53-43-21-17-41(18-22-43)51(29-35-57(36-30-51)33-7-9-47(59)39-13-25-45(55)26-14-39)63-49(61)11-5-3-1-2-4-6-12-50(62)64-52(42-19-23-44(54)24-20-42)31-37-58(38-32-52)34-8-10-48(60)40-15-27-46(56)28-16-40/h13-28H,1-12,29-38H2
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InChIKey |
ZYNARRKYWSBPBI-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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