280348

Source:http://linkedlifedata.com/resource/chembl/compound/280348

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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/C12H16N4/c1-8-14-11-10(6-7-13-11)12(15-8)16-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H2,13,14,15,16)
chemicalCompound:standardIn...	RAIFTQUCWIEUSY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nc(NC2CCCC2)c3cc[nH]c3n1
chemicalCompound:molecularF...	C12 H16 N4
chemicalCompound:moleculeId	280348
chemicalCompound:mwFreebase	216.282
chemicalCompound:alogp	2.249
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	53.6
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.508
chemicalCompound:acdLogP	2.963
chemicalCompound:acdLogD	2.877
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	216.282
chemicalCompound:acdMostBpk...	6.613
chemicalCompound:chemblId	CHEMBL355237
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:380348
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:207022