32894

Source:http://linkedlifedata.com/resource/chembl/compound/32894

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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/C21H18N4O/c1-26-15-9-7-14(8-10-15)18-13-19-20(24-23-18)16-5-2-3-6-17(16)21(22-19)25-11-4-12-25/h2-3,5-10,13H,4,11-12H2,1H3
chemicalCompound:standardIn...	ISRFFUUSKJOMHT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)c2cc3nc(N4CCC4)c5ccccc5c3nn2
chemicalCompound:molecularF...	C21 H18 N4 O
chemicalCompound:moleculeId	32894
chemicalCompound:mwFreebase	342.394
chemicalCompound:alogp	3.627
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	51.14
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.089
chemicalCompound:acdLogD	4.089
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	342.394
chemicalCompound:acdMostBpk...	4.238
chemicalCompound:chemblId	CHEMBL25993
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:132894
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:440638, activity:440639, activity:440640, activity:440641, activity:440642, activity:440643