1313527

Source:http://linkedlifedata.com/resource/chembl/compound/1313527

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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/C18H15N3O3/c1-24-17-9-5-4-8-15(17)21-18(23)16(22)10-12-11-19-13-6-2-3-7-14(13)20-12/h2-9,11H,10H2,1H3,(H,21,23)
chemicalCompound:standardIn...	NWFMBAXAWLVUCR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1NC(=O)C(=O)Cc2cnc3ccccc3n2
chemicalCompound:molecularF...	C18H15N3O3
chemicalCompound:moleculeId	1313527
chemicalCompound:mwFreebase	321.33
chemicalCompound:alogp	2.401
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	81.18
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.043
chemicalCompound:acdLogP	1.114
chemicalCompound:acdLogD	1.113
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	321.33
chemicalCompound:acdMostBpk...	1.23
chemicalCompound:chemblId	CHEMBL1992236
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1413527
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:8239711, activity:8285665, activity:8335552, activity:8350611, activity:8369671, activity:8389892, activity:8466896, activity:8527054, activity:8551623, activity:8554104, activity:8692929, activity:8704225, activity:8732859, activity:8739875, activity:8857191, activity:8867884, activity:8893095, activity:9006820, activity:9036199, activity:9070871, activity:9117260, activity:9224660, activity:9257157, activity:9325804, activity:9395274, activity:9402038, activity:9474451, activity:9481249, activity:9518086, activity:9654122, activity:9732398, activity:9752028, activity:9822157, activity:9861416, activity:9902825, activity:9965781, activity:10029353, activity:10044815, activity:10115854, activity:10137301, activity:10148687, activity:10219481, activity:10248475, activity:10276938, activity:10366085, activity:10398171, activity:10408919, activity:10533760, activity:10561506, activity:10641776, activity:10652148, activity:10740144, activity:10747557, activity:10763031