536517

Source:http://linkedlifedata.com/resource/chembl/compound/536517

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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:531182
chemicalCompound:synonym	synonym:536517_GNF-PF-2511_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C19H20N4O.ClH/c1-24-15-10-8-14(9-11-15)20-19-21-17-7-3-2-6-16(17)18(22-19)23-12-4-5-13-23;/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21,22);1H
chemicalCompound:standardIn...	SQNXCAUHFCLHTK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccc(Nc2nc(N3CCCC3)c4ccccc4n2)cc1
chemicalCompound:molecularF...	C19H21ClN4O
chemicalCompound:moleculeId	536517
chemicalCompound:mwFreebase	320.388
chemicalCompound:alogp	4.605
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	50.28
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.631
chemicalCompound:acdLogD	1.972
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	356.849
chemicalCompound:acdMostBpk...	8.552
chemicalCompound:chemblId	CHEMBL579919
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:636517
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:2814096, activity:2836028, activity:2844588, activity:2862122, activity:2863192, activity:2870885, activity:3025024, activity:3031942, activity:3033957, activity:3035708, activity:3667482, activity:3752214, activity:3784375, activity:3931709, activity:3960907, activity:4115004, activity:4271716, activity:4376443, activity:4905324, activity:4983704, activity:5071478, activity:5357344, activity:5432146, activity:5498191, activity:5795671, activity:5869916, activity:6233209, activity:6494271, activity:6656175, activity:6729101, activity:6840152, activity:6876060, activity:6950428, activity:6986906, activity:7103335, activity:7278017, activity:7325092, activity:7393938, activity:7469142, activity:8278487, activity:10306647, activity:10608120