882625

Source:http://linkedlifedata.com/resource/chembl/compound/882625

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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/C14H12N4/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,15H2,(H,16,17,18)
chemicalCompound:standardIn...	AEALBFAUDNCOAC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ccc(cc1)c2n[nH]c(n2)c3ccccc3
chemicalCompound:molecularF...	C14H12N4
chemicalCompound:moleculeId	882625
chemicalCompound:mwFreebase	236.272
chemicalCompound:alogp	2.388
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	67.59
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.105
chemicalCompound:acdLogP	3.333
chemicalCompound:acdLogD	3.332
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	236.272
chemicalCompound:acdMostBpk...	2.797
chemicalCompound:chemblId	CHEMBL1458741
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:982625
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:3623024, activity:3696936, activity:3822779, activity:3833974, activity:4692093, activity:4958454, activity:5443565, activity:5553153, activity:5592366, activity:5671203, activity:5908006, activity:6542072, activity:6654090, activity:6738465, activity:6969807, activity:7155687, activity:7392656, activity:7402991, activity:7513127