194734

Source:http://linkedlifedata.com/resource/chembl/compound/194734

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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/C24H18F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3
chemicalCompound:standardIn...	GDPTYJPHMSZXDA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccccc1N2N=C(CCC2=O)c3c(nc4ccccn34)c5ccc(F)cc5F
chemicalCompound:molecularF...	C24H18F2N4O
chemicalCompound:moleculeId	194734
chemicalCompound:mwFreebase	416.423
chemicalCompound:alogp	4.844
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	49.97
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.881
chemicalCompound:acdLogD	3.881
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	416.423
chemicalCompound:acdMostBpk...	2.22
chemicalCompound:chemblId	CHEMBL325854
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:294734
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:53585, activity:53586, activity:53587, activity:53588, activity:53589, activity:2619607