8243

Source:http://linkedlifedata.com/resource/chembl/compound/8243

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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/C14H12N4O4/c1-17-11-9(12(19)18(2)14(17)22)15-10(16-11)7-3-5-8(6-4-7)13(20)21/h3-6H,1-2H3,(H,15,16)(H,20,21)
chemicalCompound:standardIn...	VOGIMZNURUXDIJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)N(C)c2[nH]c(nc2C1=O)c3ccc(cc3)C(=O)O
chemicalCompound:molecularF...	C14 H12 N4 O4
chemicalCompound:moleculeId	8243
chemicalCompound:mwFreebase	300.269
chemicalCompound:alogp	0.971
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	106.6
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.863
chemicalCompound:acdLogP	1.038
chemicalCompound:acdLogD	-2.025
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	300.269
chemicalCompound:acdMostBpk...	0.36
chemicalCompound:chemblId	CHEMBL11048
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:108243
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:430999, activity:431000, activity:843223, activity:843224, activity:849247, activity:849248, activity:849249, activity:849250