895716

Source:http://linkedlifedata.com/resource/chembl/compound/895716

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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/C18H17N5O3/c24-12-4-11-19-18-16(13-5-2-1-3-6-13)21-22-17(20-18)14-7-9-15(10-8-14)23(25)26/h1-3,5-10,24H,4,11-12H2,(H,19,20,22)
chemicalCompound:standardIn...	XKFNMOSZXYYFKG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCCCNc1nc(nnc1c2ccccc2)c3ccc(cc3)[N+](=O)[O-]
chemicalCompound:molecularF...	C18H17N5O3
chemicalCompound:moleculeId	895716
chemicalCompound:mwFreebase	351.359
chemicalCompound:alogp	2.443
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	116.75
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.923
chemicalCompound:acdLogD	2.923
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	351.359
chemicalCompound:acdMostBpk...	1.682
chemicalCompound:chemblId	CHEMBL1471832
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:995716
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:3655569, activity:3798270, activity:4185073, activity:4286895, activity:4968190, activity:5004940, activity:5643207, activity:6678090, activity:6889828, activity:7279055, activity:7417693, activity:7463995