803065

Source:http://linkedlifedata.com/resource/chembl/compound/803065

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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/C19H17N3O2/c1-12-6-8-13(9-7-12)20-19(24)17-16(23)10-11-22-15-5-3-2-4-14(15)21-18(17)22/h2-9,23H,10-11H2,1H3,(H,20,24)
chemicalCompound:standardIn...	WNJYZRGIWOMPRP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(NC(=O)C2=C(O)CCn3c2nc4ccccc34)cc1
chemicalCompound:molecularF...	C19H17N3O2
chemicalCompound:moleculeId	803065
chemicalCompound:mwFreebase	319.357
chemicalCompound:alogp	2.935
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	67.14
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.049
chemicalCompound:acdLogP	3.844
chemicalCompound:acdLogD	1.58
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	319.357
chemicalCompound:acdMostBpk...	6.151
chemicalCompound:chemblId	CHEMBL1379181
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:903065
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:3772096, activity:3787917, activity:3910470, activity:4080737, activity:4205687, activity:4281445, activity:4583937, activity:4799763, activity:4813567, activity:4910859, activity:5012695, activity:5029020, activity:5560266, activity:5796480, activity:6469980, activity:6577496, activity:6740880, activity:7033750, activity:7414403