General Information of the Compound
Compound ID
CP0925690
Compound Name
5-fluoro-4-oxo-1-(4-(2-oxooxazolidin-3-yl)benzyl)-1,4-dihydroquinoline-3-carboxylic acid
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Structure
Formula
C20H15FN2O5
Molecular Weight
382.347
Canonical SMILES
O=C(O)c1cn(Cc2ccc(N3CCOC3=O)cc2)c2cccc(F)c2c1=O
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InChI
InChI=1S/C20H15FN2O5/c21-15-2-1-3-16-17(15)18(24)14(19(25)26)11-22(16)10-12-4-6-13(7-5-12)23-8-9-28-20(23)27/h1-7,11H,8-10H2,(H,25,26)
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InChIKey
RDLYSAKXEFVKMW-UHFFFAOYSA-N
Physicochemical Property
logP
2.8437
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
88.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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).

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PubChem ID
CID: 46232367
ChEMBL ID
CHEMBL599142
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Activity = 500 nM
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