1295

Source:http://linkedlifedata.com/resource/chembl/compound/1295

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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/C16H16FN5/c17-13-6-2-1-5-12(13)9-22-11-20-14-15(18-10-19-16(14)22)21-7-3-4-8-21/h1-2,5-6,10-11H,3-4,7-9H2
chemicalCompound:standardIn...	YJZXZDMHKVLZLH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccccc1Cn2cnc3c(ncnc23)N4CCCC4
chemicalCompound:molecularF...	C16 H16 F N5
chemicalCompound:moleculeId	1295
chemicalCompound:mwFreebase	297.33
chemicalCompound:alogp	2.923
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	46.84
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.177
chemicalCompound:acdLogD	3.176
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	297.33
chemicalCompound:acdMostBpk...	4.555
chemicalCompound:chemblId	CHEMBL6832
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101295
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:994364, activity:994365