1062540

Source:http://linkedlifedata.com/resource/chembl/compound/1062540

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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/C12H12N2O2/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-6,15-16H,7-8H2
chemicalCompound:standardIn...	RRXGRDMHWYLJSY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCc1ccnc(c1)c2cc(CO)ccn2
chemicalCompound:molecularF...	C12H12N2O2
chemicalCompound:moleculeId	1062540
chemicalCompound:mwFreebase	216.236
chemicalCompound:alogp	0.695
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	66.24
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.945
chemicalCompound:acdLogP	-0.11
chemicalCompound:acdLogD	-0.11
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	216.236
chemicalCompound:acdMostBpk...	4.101
chemicalCompound:chemblId	CHEMBL1650629
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1162540
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:5193081, activity:5193498, activity:5193541, activity:5193737, activity:5194088, activity:5194110, activity:5194296, activity:5194399, activity:5194428