833497

Source:http://linkedlifedata.com/resource/chembl/compound/833497

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H15N5O/c1-11-16(12(2)24-23-11)18-21-15-6-4-3-5-14(15)17(22-18)20-13-7-9-19-10-8-13/h3-10H,1-2H3,(H,19,20,21,22)
chemicalCompound:standardIn...	LFMPKDUDFHIAFQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1onc(C)c1c2nc(Nc3ccncc3)c4ccccc4n2
chemicalCompound:molecularF...	C18H15N5O
chemicalCompound:moleculeId	833497
chemicalCompound:mwFreebase	317.345
chemicalCompound:alogp	2.828
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	76.73
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.536
chemicalCompound:acdLogD	3.532
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	317.345
chemicalCompound:acdMostBpk...	5.967
chemicalCompound:chemblId	CHEMBL1409613
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:933497
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3618302, activity:3621549, activity:3685074, activity:3715191, activity:3935587, activity:4020261, activity:4444166, activity:4515232, activity:4591969, activity:4789659, activity:4815792, activity:4829252, activity:4961645, activity:4977373, activity:5042571, activity:5573792, activity:6001503, activity:6031806, activity:6035124, activity:6038582, activity:6067317, activity:7562867