General Information of the Compound
| Compound ID |
CP0314375
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| Compound Name |
1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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| Synonyms |
BQCA
Benzyl quinolone carboxylic acid
M1 muscarinic acetylcholine receptor agonist (Alzherimer's disease)
M1 muscarinic acetylcholine receptor agonist (Alzherimer's disease), Merck & Co
M1mAChRs (neurological disorder), Merck & Co
TBPB
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| Structure |
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| Formula |
C18H15NO4
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| Molecular Weight |
309.321
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| Canonical SMILES |
COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
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| InChIKey |
BZBBTGCKPRSPGF-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: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Clinical Information about the Compound