General Information of the Compound
Compound ID
CP0005168
Compound Name
Avelox
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Synonyms
(1'S,6'S)-1-Cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Actira (*Hydrochloride*)
Avalox (TN)
Avelon (TN)
Avelox
Avelox (*Hydrochloride*)
Avelox (TN)
Avelox I.VMFX
MXF
MXFX
Moxifloxacin
Moxifloxacin [INN:BAN]
Vigamox
Vigamox (TN)
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Structure
Formula
C21H24FN3O4
Molecular Weight
401.438
Canonical SMILES
COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
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InChI
InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
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InChIKey
FABPRXSRWADJSP-MEDUHNTESA-N
CAS
151096-09-2
Physicochemical Property
logP
2.3705
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
83.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 40467042
SID: 14781355
ChEMBL ID
CHEMBL32
DrugBank ID
DB00218
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: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 39810.72 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Moxifloxacin )
Drug Name Moxifloxacin
Company Bayer AG
Indication
Bacterial infection
Approved