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Compound InformationSONAR Target prediction
Name:

NITROFURANTOIN

Unique Identifier:SPE01500433
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:232.11 g/mol
X log p:6.195  (online calculus)
Lipinksi Failures1
TPSA102.11
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:[O-][N+](=O)c1oc(cc1)C=NN1CC(=O)NC1=O
Source:synthetic
Therapeutics:antibacterial
Generic_name:Nitrofurantoin
Chemical_iupac_name:1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione
Drug_type:Approved Drug
Pharmgkb_id:PA450640
Kegg_compound_id:C07268
Drugbank_id:APRD00191
Melting_point:263 oC
H2o_solubility:79.5 mg/L
Logp:-0.04
Isoelectric_point:7.2
Cas_registry_number:67-20-9
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C67209&Index=0&Type=Mass&Large=on
Drug_category:Anti-Infectives; Anti-Infectives; ATC:J01XE01
Indication:For the treatment of infection (urinary tract)
Pharmacology:Nitrofurantoin, a nitrofuran antibacterial agent, is available in
microcrystalline and macrocrystalline form to treat urinary tract
infections caused by many gram-negative and some gram-positive bacteria.
Mechanism_of_action:Nitrofurantoin inhibits bacterial acetyl-coenzyme A, interfering with the organism-s
carbohydrate metabolism. The drug also can disrupt bacterial cell wall formation.
Organisms_affected:Gram negative and some gram positive bacteria

Found: 5 active | as graph: single | with analogs 2 3 4 5 Next >> 
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6477±0.0113137
Normalized OD Score: sc h 0.8542±0.0137711
Z-Score: -4.2857±0.336752
p-Value: 0.000028913
Z-Factor: -0.133372
Fitness Defect: 10.4512
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:17|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.041125±0.00203
Plate DMSO Control (-):0.648±0.02145
Plate Z-Factor:0.9281
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DBLink | Rows returned: 5
4509 1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione
5353830 1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione
6435857 1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione hydrate
6604200 1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione
16051996 sodium 1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 14486 | Additional Members: 6 | Rows returned: 4
Prest1264 0.543859649122807
Prest226 0.5
Prest358 0
LAT002B06 0

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