General Information of the Compound
| Compound ID |
CP0913527
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| Compound Name |
7-(4-(4-(2-Methoxy-4-methylphenyl)piperazin-1-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one oxalate
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| Structure |
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| Formula |
C27H35N3O7
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| Molecular Weight |
513.591
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| Canonical SMILES |
COc1cc(C)ccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H33N3O3.C2H2O4/c1-19-5-9-23(24(17-19)30-2)28-14-12-27(13-15-28)11-3-4-16-31-21-8-6-20-7-10-25(29)26-22(20)18-21;3-1(4)2(5)6/h5-6,8-9,17-18H,3-4,7,10-16H2,1-2H3,(H,26,29);(H,3,4)(H,5,6)
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| InChIKey |
KQNQOTGDSHLFFV-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