General Information of the Compound
| Compound ID |
CP0463610
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| Compound Name |
bis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] octadecanedioate
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| Structure |
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| Formula |
C60H76Cl2F2N2O6
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| Molecular Weight |
1030.178
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C60H76Cl2F2N2O6/c61-51-29-25-49(26-30-51)59(37-43-65(44-38-59)41-15-17-55(67)47-21-33-53(63)34-22-47)71-57(69)19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-58(70)72-60(50-27-31-52(62)32-28-50)39-45-66(46-40-60)42-16-18-56(68)48-23-35-54(64)36-24-48/h21-36H,1-20,37-46H2
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| InChIKey |
SFQRCRYSIPJHQY-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