187022

Source:http://linkedlifedata.com/resource/chembl/compound/187022

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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:187022_NSC-7861_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
chemicalCompound:standardIn...	PFWLFWPASULGAN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1cnc2nc(O)nc(O)c12
chemicalCompound:molecularF...	C6H6N4O2
chemicalCompound:moleculeId	187022
chemicalCompound:mwFreebase	166.137
chemicalCompound:alogp	0.544
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	84.06
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.222
chemicalCompound:acdLogP	-1.183
chemicalCompound:acdLogD	-4.683
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	166.137
chemicalCompound:acdMostBpk...	14.89
chemicalCompound:chemblId	CHEMBL321248
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:287022
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:48991
chemicalCompound:activity	activity:216759, activity:216760, activity:2610261, activity:3410314, activity:3410320