568916

Source:http://linkedlifedata.com/resource/chembl/compound/568916

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:671435
chemicalCompound:standardIn...	InChI=1S/C17H21N5O2.ClH/c1-21(2)12-4-11-18-14-7-9-15(10-8-14)19-20-16-5-3-6-17(13-16)22(23)24;/h3,5-10,13,18H,4,11-12H2,1-2H3;1H/b20-19+;
chemicalCompound:standardIn...	QEKHPSUBQMWDHQ-RZLHGTIFSA-N
chemicalCompound:canonicalS...	Cl.CN(C)CCCNc1ccc(cc1)N=Nc2cccc(c2)[N+](=O)[O-]
chemicalCompound:molecularF...	C17H22ClN5O2
chemicalCompound:moleculeId	568916
chemicalCompound:mwFreebase	327.381
chemicalCompound:alogp	4.103
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	85.81
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.448
chemicalCompound:acdLogD	1.381
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	363.842
chemicalCompound:acdMostBpk...	9.502
chemicalCompound:chemblId	CHEMBL573842
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668916
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:2913547, activity:2913605, activity:2913663, activity:2913721, activity:2913779, activity:2914209, activity:2914267, activity:2914300, activity:2914358, activity:2914416, activity:2914430, activity:2914442, activity:2914454, activity:2914455