General Information of the Compound
| Compound ID |
CP0480635
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| Compound Name |
bis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] tetradecanedioate
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| Structure |
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| Formula |
C56H68Cl2F2N2O6
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| Molecular Weight |
974.07
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C56H68Cl2F2N2O6/c57-47-25-21-45(22-26-47)55(33-39-61(40-34-55)37-11-13-51(63)43-17-29-49(59)30-18-43)67-53(65)15-9-7-5-3-1-2-4-6-8-10-16-54(66)68-56(46-23-27-48(58)28-24-46)35-41-62(42-36-56)38-12-14-52(64)44-19-31-50(60)32-20-44/h17-32H,1-16,33-42H2
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| InChIKey |
KHEBQTBTKXEQAN-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