288297

Source:http://linkedlifedata.com/resource/chembl/compound/288297

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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/C23H18N4O4/c24-12-17-16(11-18(27-22(17)25)15-6-1-2-7-19(15)28)13-4-3-5-14(10-13)26-23(30)20-8-9-21(29)31-20/h1-7,10-11,20,28H,8-9H2,(H2,25,27)(H,26,30)
chemicalCompound:standardIn...	DRXDUHAQLNLLGY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(cc(c2cccc(NC(=O)C3CCC(=O)O3)c2)c1C#N)c4ccccc4O
chemicalCompound:molecularF...	C23 H18 N4 O4
chemicalCompound:moleculeId	288297
chemicalCompound:mwFreebase	414.413
chemicalCompound:alogp	2.792
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	138.32
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.191
chemicalCompound:acdLogP	1.532
chemicalCompound:acdLogD	1.392
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	414.413
chemicalCompound:acdMostBpk...	2.024
chemicalCompound:chemblId	CHEMBL173050
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:388297
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:932037, activity:932038, activity:932039, activity:932040, activity:932041, activity:932042, activity:932043, activity:932044, activity:932045, activity:932046, activity:932047, activity:1440791, activity:1440792, activity:1441196, activity:1441197, activity:6362736