826517

Source:http://linkedlifedata.com/resource/chembl/compound/826517

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1042635
chemicalCompound:standardIn...	InChI=1S/C16H15N5O.ClH/c1-2-5-13-12(4-1)14-15(22-13)16(20-10-19-14)18-6-3-8-21-9-7-17-11-21;/h1-2,4-5,7,9-11H,3,6,8H2,(H,18,19,20);1H
chemicalCompound:standardIn...	KJWBOLYTBMKEDI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.C(CNc1ncnc2c1oc3ccccc23)Cn4ccnc4
chemicalCompound:molecularF...	C16H16ClN5O
chemicalCompound:moleculeId	826517
chemicalCompound:mwFreebase	293.323
chemicalCompound:alogp	1.662
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	68.77
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.85
chemicalCompound:acdLogD	1.714
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	329.784
chemicalCompound:acdMostBpk...	6.983
chemicalCompound:chemblId	CHEMBL1402633
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:926517
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:4428490, activity:4775099, activity:5475918, activity:5825673, activity:5987893, activity:6003025, activity:6028249, activity:6069204, activity:6070181, activity:6673188, activity:6822329