General Information of the Compound
| Compound ID |
CP0411640
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| Compound Name |
1-[3-(4-pentylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
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| Structure |
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| Formula |
C22H34N2O
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| Molecular Weight |
342.527
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| Canonical SMILES |
CCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
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| InChI |
InChI=1S/C22H34N2O/c1-2-3-4-8-19-13-17-23(18-14-19)15-7-16-24-21-10-6-5-9-20(21)11-12-22(24)25/h5-6,9-10,19H,2-4,7-8,11-18H2,1H3
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| InChIKey |
YTJBCMWEQPWTAA-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
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5