272

Source:http://linkedlifedata.com/resource/chembl/compound/272

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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/C22H14N4O2/c23-12-14-4-6-15(7-5-14)22-25-20(21(26-22)17-3-1-2-10-24-17)16-8-9-18-19(11-16)28-13-27-18/h1-11H,13H2,(H,25,26)
chemicalCompound:standardIn...	ULAVWFANALBEHR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	N#Cc1ccc(cc1)c2nc(c3ccc4OCOc4c3)c([nH]2)c5ccccn5
chemicalCompound:molecularF...	C22H14N4O2
chemicalCompound:moleculeId	272
chemicalCompound:mwFreebase	366.372
chemicalCompound:alogp	4.323
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	83.82
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.183
chemicalCompound:acdLogD	3.178
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	366.372
chemicalCompound:acdMostBpk...	9.822
chemicalCompound:chemblId	CHEMBL269341
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100272
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:977939, activity:977940, activity:3188397, activity:3188405