1035052

Source:http://linkedlifedata.com/resource/chembl/compound/1035052

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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/C15H16N4O4/c1-23-11-5-3-2-4-9(11)13(21)18-15-17-12(20)8-10-14(22)16-6-7-19(10)15/h2-5,10H,6-8H2,1H3,(H,16,22)(H,17,18,20,21)
chemicalCompound:standardIn...	WJHPDQVPFOPZOM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1C(=O)NC2=NC(=O)CC3N2CCNC3=O
chemicalCompound:molecularF...	C15H16N4O4
chemicalCompound:moleculeId	1035052
chemicalCompound:mwFreebase	316.312
chemicalCompound:alogp	0
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	100.1
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.562
chemicalCompound:acdLogP	-0.227
chemicalCompound:acdLogD	-0.253
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	316.312
chemicalCompound:chemblId	CHEMBL1611168
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1135052
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:4077042, activity:4253419, activity:4820316, activity:4826873, activity:5803856, activity:6574454, activity:6630680, activity:7033960, activity:7188194