General Information of the Compound
| Compound ID |
CP0385662
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| Compound Name |
bis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] hexanedioate
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| Structure |
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| Formula |
C48H52Cl2F2N2O6
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| Molecular Weight |
861.854
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C48H52Cl2F2N2O6/c49-39-17-13-37(14-18-39)47(25-31-53(32-26-47)29-3-5-43(55)35-9-21-41(51)22-10-35)59-45(57)7-1-2-8-46(58)60-48(38-15-19-40(50)20-16-38)27-33-54(34-28-48)30-4-6-44(56)36-11-23-42(52)24-12-36/h9-24H,1-8,25-34H2
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| InChIKey |
ODDQSYJSQXYQTO-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