16592

Source:http://linkedlifedata.com/resource/chembl/compound/16592

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:16592_Dantafur_TRADE_NAME, synonym:16592_Furadantin_TRADE_NAME, synonym:16592_Furalan_TRADE_NAME, synonym:16592_Ivadantin_OTHER, synonym:16592_Macrobid_TRADE_NAME, synonym:16592_Macrodantin_TRADE_NAME, synonym:16592_Nitrofurantoin, macrocrystalline_FDA_ALTERNATIVE_NAME, synonym:16592_Nitrofurantoin (monohydrate/macrocrystals)_TRADE_NAME, synonym:16592_Nitrofurantoin macrocrystalline_TRADE_NAME, synonym:16592_Nitrofurantoin_BAN, synonym:16592_Nitrofurantoin_FDA_ALTERNATIVE_NAME, synonym:16592_Nitrofurantoin_INN, synonym:16592_Nitrofurantoin_JAN, synonym:16592_Nitrofurantoin_TRADE_NAME, synonym:16592_Nitrofurantoin_USAN, synonym:16592_Nitrofurantoin_USP
chemicalCompound:standardIn...	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+
chemicalCompound:standardIn...	NXFQHRVNIOXGAQ-YCRREMRBSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1oc(\C=N\N2CC(=O)NC2=O)cc1
chemicalCompound:molecularF...	C8H6N4O5
chemicalCompound:moleculeId	16592
chemicalCompound:mwFreebase	238.157
chemicalCompound:alogp	0.105
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	120.72
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.549
chemicalCompound:acdLogP	-0.47
chemicalCompound:acdLogD	-0.7
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	238.157
chemicalCompound:chemblId	CHEMBL572
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:116592
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	NITROFURANTOIN
chemicalCompound:activity	activity:141927, activity:288548, activity:374633, activity:374634, activity:374635, activity:449578, activity:449579, activity:543497, activity:543498, activity:543499, activity:543500, activity:874587, activity:874588, activity:874589, activity:874590, activity:1438864, activity:1438964, activity:1438965, activity:1438966, activity:1438995, activity:1866391, activity:1866420, activity:1866449, activity:1866478, activity:2041651, activity:2041652, activity:2041653, activity:2041654, activity:2060104, activity:2143172, activity:2143173, activity:2234961, activity:2234985, activity:2235009, activity:2235033, activity:2235057, activity:2235081, activity:2235105, activity:2235129, activity:2235153, activity:2235177, activity:2235201, activity:2235225, activity:2357316, activity:2501804, activity:2591803, activity:2672164, activity:2672165, activity:3454657, activity:3454660