725592

Source:http://linkedlifedata.com/resource/chembl/compound/725592

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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/C16H14N8O/c1-10-13(15(25)20-12-3-2-6-18-9-12)14(11-4-7-17-8-5-11)24-16(19-10)21-22-23-24/h2-9,14H,1H3,(H,20,25)(H,19,21,23)
chemicalCompound:standardIn...	MVDHIDVDMAXJRY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=C(C(c2ccncc2)n3nnnc3N1)C(=O)Nc4cccnc4
chemicalCompound:molecularF...	C16H14N8O
chemicalCompound:moleculeId	725592
chemicalCompound:mwFreebase	334.335
chemicalCompound:alogp	-0.659
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	110.51
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.182
chemicalCompound:acdLogP	-0.136
chemicalCompound:acdLogD	-0.137
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	334.335
chemicalCompound:acdMostBpk...	4.377
chemicalCompound:chemblId	CHEMBL1301708
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:825592
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:4362934, activity:4820902, activity:5028861, activity:5451869, activity:7164669