509720

Source:http://linkedlifedata.com/resource/chembl/compound/509720

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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/C24H18N4O4/c1-14(29)26-20-6-2-5-18-17(20)4-3-7-21(18)32-23-12-25-11-22(28-23)27-16-9-8-15-13-31-24(30)19(15)10-16/h2-12H,13H2,1H3,(H,26,29)(H,27,28)
chemicalCompound:standardIn...	ZGVRPYHMLAOXSC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1cccc2c(Oc3cncc(Nc4ccc5COC(=O)c5c4)n3)cccc12
chemicalCompound:molecularF...	C24H18N4O4
chemicalCompound:moleculeId	509720
chemicalCompound:mwFreebase	426.424
chemicalCompound:alogp	3.355
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	102.44
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.707
chemicalCompound:acdLogD	3.707
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.424
chemicalCompound:acdMostBpk...	1.262
chemicalCompound:chemblId	CHEMBL501719
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:609720
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:2340264