General Information of the Compound
Compound ID
CP0023829
Compound Name
MLS000028500
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Synonyms
1-(((5-nitro-2-furanyl)methylene)amino)-2,4-imidazolidinedione
1-((5-Nitrofurfurylidene)amino)hydantoin
1-(5-Nitro-2-furfurylidenamino)hydantoin
1-(5-Nitro-2-furfurylideneamino)hydantoin
1-[(5-:nitrofurfurylidene)amino]hydantoin
1-[(5-Nitrofurfurylidene)amino]hydantoin
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
1-[[(5-Nitro-2-furanyl)methylene]amino]-2,4-imidazolidinedione
1-{[(1E)-(5-nitro-2-furyl)methylene]amino}imidazolidine-2,4-dione
1-{[(1E)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione
5-Nitrofurantoin
Alfuran
Benkfuran
Berkfuran
Berkfurin
Ceduran
Chemiofuran
Cistofuran
Cyantin
Cystit
Dantafur
Fua Med
Fua-med
Fur-ren
Furabid
Furachel
Furadantin
Furadantin (TN)
Furadantin Retard
Furadantina MC
Furadantine
Furadantine mc
Furadantine-MC
Furadantoin
Furadoine
Furadonin
Furadonine
Furadoninum
Furadontin
Furalan
Furaloid
Furantoin
Furatoin
Furedan
Furina
Furobactina
Furodantin
Furophen
Furophen T
Gerofuran
Ituran
Macpac
Macrobid
Macrobid (TN)
Macrodantin
Macrodantin (TN)
Macrodantina
Macrofuran
Macrofurin
N-(5-Nitro-2-furfurylidene)-1-aminohydantoin
N-(5-Nitro-2-furfurylideno)-1-aminohydantoina
N-(5-Nitro-2-furfurylideno)-1-aminohydantoina [Polish]
N-(5-Nitrofurfurylidene)-1-aminohydantoin
N-(5-nitro-2-furfurylidene)-1-aminohyda ntoin
N-Toin
ND-3320
ND-7248
NITROFURANTION
NITROFURANTOIN MACROCRYSTALLINE
NITROFURANTOIN, MACROCRYSTALLINE
Nierofu
Nifurantin
Nifuretten
Nitoin
Nitrex
Nitro Macro (TN)
Nitrofur-C
Nitrofuradantin
Nitrofurantoin
Nitrofurantoin (JAN/USP/INN)
Nitrofurantoin [USAN:INN:BAN:JAN]
Nitrofurantoina
Nitrofurantoina [DCIT]
Nitrofurantoine
Nitrofurantoine [INN-French]
Nitrofurantoinum
Nitrofurantoinum [INN-Latin]
Novofuran
Orafuran
Parfuran
Phenurin
PiyEloseptyl
Ro-Antoin
Siraliden
Trantoin
Uerineks
Urantoin
Urantoin (TN)
Urizept
Uro-Selz
Uro-Tablinen
Uro-tablineu
Urodil
Urodin
Urofuran
Urofurin
Urolisa
Urolong
Usaf ea-2
Welfurin
Zoofurin
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Structure
Formula
C8H6N4O5
Molecular Weight
238.159
Canonical SMILES
[O-][N+](=O)c1ccc(\C=N\N2CC(=O)NC2=O)o1
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InChI
InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
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InChIKey
NXFQHRVNIOXGAQ-YCRREMRBSA-N
CAS
67-20-9
Physicochemical Property
logP
0.0735
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
118.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
17

"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: 6604200
SID: 14749496
ChEMBL ID
CHEMBL572
DrugBank ID
DB00698
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: PT05334, ATP-binding cassette sub-family C member 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 20900 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 23109.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Nitrofurantoin )
Drug Name Nitrofurantoin
Company Procter And Gamble Pharmaceuticals Inc Sub Procter And Gamble Co
Indication
Urinary tract infection
Approved