842439

Source:http://linkedlifedata.com/resource/chembl/compound/842439

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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/C21H20N4O2/c1-14-3-8-19-16(11-14)12-17(13-22)20(25-19)23-9-10-24-21(26)15-4-6-18(27-2)7-5-15/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H,24,26)
chemicalCompound:standardIn...	MYSIBLUCWQTYKC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C(=O)NCCNc2nc3ccc(C)cc3cc2C#N
chemicalCompound:molecularF...	C21H20N4O2
chemicalCompound:moleculeId	842439
chemicalCompound:mwFreebase	360.409
chemicalCompound:alogp	3.097
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	87.04
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.795
chemicalCompound:acdLogD	3.795
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	360.409
chemicalCompound:acdMostBpk...	1.786
chemicalCompound:chemblId	CHEMBL1418555
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:942439
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:4101469, activity:4270763, activity:4366738, activity:4377934, activity:4497354, activity:5003873, activity:5330973, activity:5427979, activity:5577863, activity:5653408, activity:5697498, activity:6474711, activity:6487265, activity:6652747, activity:6743938, activity:6854606, activity:7129634