General Information of the Compound
| Compound ID |
CP0385670
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| Compound Name |
bis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] hexadecanedioate
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| Structure |
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| Formula |
C58H72Cl2F2N2O6
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| Molecular Weight |
1002.124
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C58H72Cl2F2N2O6/c59-49-27-23-47(24-28-49)57(35-41-63(42-36-57)39-13-15-53(65)45-19-31-51(61)32-20-45)69-55(67)17-11-9-7-5-3-1-2-4-6-8-10-12-18-56(68)70-58(48-25-29-50(60)30-26-48)37-43-64(44-38-58)40-14-16-54(66)46-21-33-52(62)34-22-46/h19-34H,1-18,35-44H2
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| InChIKey |
APANCCIVVADHPY-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