81721

Source:http://linkedlifedata.com/resource/chembl/compound/81721

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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/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)16-14-17-12-11(7-15-19-12)13(20)18-14/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)
chemicalCompound:standardIn...	MYZRDOQQJPWWKR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1cc(Nc2nc(O)c3c[nH]nc3n2)ccc1C
chemicalCompound:molecularF...	C14 H15 N5 O
chemicalCompound:moleculeId	81721
chemicalCompound:mwFreebase	269.302
chemicalCompound:alogp	3.187
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	86.72
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.913
chemicalCompound:acdLogP	1.374
chemicalCompound:acdLogD	0.212
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	269.302
chemicalCompound:acdMostBpk...	7.694
chemicalCompound:chemblId	CHEMBL54260
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:181721
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:70272, activity:70273, activity:70274, activity:70275, activity:70276, activity:70277