1307641

Source:http://linkedlifedata.com/resource/chembl/compound/1307641

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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/C24H20N6O2/c1-2-31-24-29-22(25-17-8-4-3-5-9-17)28-23(30-24)26-18-14-12-16(13-15-18)21-27-19-10-6-7-11-20(19)32-21/h3-15H,2H2,1H3,(H2,25,26,28,29,30)
chemicalCompound:standardIn...	RBFZNPVXWQNKPF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1nc(Nc2ccccc2)nc(Nc3ccc(cc3)c4oc5ccccc5n4)n1
chemicalCompound:molecularF...	C24H20N6O2
chemicalCompound:moleculeId	1307641
chemicalCompound:mwFreebase	424.455
chemicalCompound:alogp	6.392
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	97.99
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.598
chemicalCompound:acdLogD	5.598
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.455
chemicalCompound:acdMostBpk...	3.509
chemicalCompound:chemblId	CHEMBL1986350
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1407641
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:8781085, activity:9020212