General Information of the Compound
| Compound ID |
CP0412174
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| Compound Name |
[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] 3-[4-[3-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-3-oxopropyl]piperazin-1-yl]propanoate
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| Structure |
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| Formula |
C52H60Cl2F2N4O6
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| Molecular Weight |
945.976
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCN1CCN(CCC(=O)OC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C52H60Cl2F2N4O6/c53-43-13-9-41(10-14-43)51(23-31-57(32-24-51)27-1-3-47(61)39-5-17-45(55)18-6-39)65-49(63)21-29-59-35-37-60(38-36-59)30-22-50(64)66-52(42-11-15-44(54)16-12-42)25-33-58(34-26-52)28-2-4-48(62)40-7-19-46(56)20-8-40/h5-20H,1-4,21-38H2
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| InChIKey |
BXOPFJXHIDYFEL-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