General Information of the Compound
| Compound ID |
CP0891093
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| Compound Name |
7-(4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one oxalate
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| Structure |
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| Formula |
C26H31ClN2O7
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| Molecular Weight |
518.994
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| Canonical SMILES |
O=C(O)C(=O)O.O=C1CCc2ccc(OCCCCN3CCC(O)(c4ccc(Cl)cc4)CC3)cc2N1
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| InChI |
InChI=1S/C24H29ClN2O3.C2H2O4/c25-20-7-5-19(6-8-20)24(29)11-14-27(15-12-24)13-1-2-16-30-21-9-3-18-4-10-23(28)26-22(18)17-21;3-1(4)2(5)6/h3,5-9,17,29H,1-2,4,10-16H2,(H,26,28);(H,3,4)(H,5,6)
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| InChIKey |
IVZXOPVQHVASGJ-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