612197

Source:http://linkedlifedata.com/resource/chembl/compound/612197

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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:612197_Nicarb_TRADE_NAME, synonym:612197_Nicoxin_TRADE_NAME, synonym:612197_Nicrazin_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C13H10N4O5/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22/h1-8H,(H2,14,15,18)
chemicalCompound:standardIn...	JEZZOKXIXNSKQD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)[N+](=O)[O-])cc1
chemicalCompound:molecularF...	C13H10N4O5
chemicalCompound:moleculeId	612197
chemicalCompound:mwFreebase	302.242
chemicalCompound:alogp	2.311
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	132.76
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.436
chemicalCompound:acdLogP	3.746
chemicalCompound:acdLogD	3.746
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	302.242
chemicalCompound:chemblId	CHEMBL1079395
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:712197
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	NICARBAZIN
chemicalCompound:activity	activity:3218594, activity:4563205, activity:6481881, activity:7179786, activity:9342641