968591

Source:http://linkedlifedata.com/resource/chembl/compound/968591

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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/C22H17N3O4/c26-21(24-16-6-7-18-19(9-16)29-13-28-18)17-5-1-4-15-12-25(22(27)20(15)17)11-14-3-2-8-23-10-14/h1-10H,11-13H2,(H,24,26)
chemicalCompound:standardIn...	AAUFIERBXVEOEY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(Nc1ccc2OCOc2c1)c3cccc4CN(Cc5cccnc5)C(=O)c34
chemicalCompound:molecularF...	C22H17N3O4
chemicalCompound:moleculeId	968591
chemicalCompound:mwFreebase	387.388
chemicalCompound:alogp	1.983
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	80.76
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.49
chemicalCompound:acdLogP	0.637
chemicalCompound:acdLogD	0.636
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	387.388
chemicalCompound:acdMostBpk...	4.7
chemicalCompound:chemblId	CHEMBL1544707
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1068591
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:3921695, activity:3930742, activity:4040581, activity:4176574, activity:4244591, activity:4418601, activity:4450983, activity:4579847, activity:4727699, activity:4844228, activity:4991192, activity:5075338, activity:5336501, activity:5414977, activity:5543082, activity:5679054, activity:5825109, activity:5912712, activity:5957365, activity:5980662, activity:6539261, activity:6776651, activity:7004102, activity:7023421, activity:7156359, activity:7204465, activity:7418935