General Information of the Compound
| Compound ID |
CP0847131
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| Compound Name |
7-(4-(4-(2-(2-Fluoroethoxy)phenyl)piperazin-1-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one oxalate
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| Structure |
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| Formula |
C27H34FN3O7
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| Molecular Weight |
531.581
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| Canonical SMILES |
O=C(O)C(=O)O.O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4OCCF)CC3)cc2N1
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| InChI |
InChI=1S/C25H32FN3O3.C2H2O4/c26-11-18-32-24-6-2-1-5-23(24)29-15-13-28(14-16-29)12-3-4-17-31-21-9-7-20-8-10-25(30)27-22(20)19-21;3-1(4)2(5)6/h1-2,5-7,9,19H,3-4,8,10-18H2,(H,27,30);(H,3,4)(H,5,6)
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| InChIKey |
YLJIJIFCXUKGQF-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