General Information of the Compound
| Compound ID |
CP0463577
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| Compound Name |
bis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] docosanedioate
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| Structure |
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| Formula |
C64H84Cl2F2N2O6
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| Molecular Weight |
1086.286
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C64H84Cl2F2N2O6/c65-55-33-29-53(30-34-55)63(41-47-69(48-42-63)45-19-21-59(71)51-25-37-57(67)38-26-51)75-61(73)23-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-24-62(74)76-64(54-31-35-56(66)36-32-54)43-49-70(50-44-64)46-20-22-60(72)52-27-39-58(68)40-28-52/h25-40H,1-24,41-50H2
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| InChIKey |
SGHVFQQOVSYPTO-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