246566

Source:http://linkedlifedata.com/resource/chembl/compound/246566

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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/C16H18N6O2/c1-23-12-4-3-10(6-13(12)24-2)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
chemicalCompound:standardIn...	JPEICZNOYPQPLT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(NCc2cnc3nc(N)nc(N)c3c2)cc1OC
chemicalCompound:molecularF...	C16 H18 N6 O2
chemicalCompound:moleculeId	246566
chemicalCompound:mwFreebase	326.353
chemicalCompound:alogp	1.359
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	121.2
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.023
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	326.353
chemicalCompound:acdMostBpk...	6.045
chemicalCompound:chemblId	CHEMBL149301
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:346566
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:486477, activity:486478, activity:486479, activity:486480, activity:486481