963528

Source:http://linkedlifedata.com/resource/chembl/compound/963528

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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/C16H19BrN2O3/c17-14-8-13(9-18-10-14)16(21)22-11-15(20)19-7-6-12-4-2-1-3-5-12/h4,8-10H,1-3,5-7,11H2,(H,19,20)
chemicalCompound:standardIn...	RHPVSNXMCLMEIB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Brc1cncc(c1)C(=O)OCC(=O)NCCC2=CCCCC2
chemicalCompound:molecularF...	C16H19BrN2O3
chemicalCompound:moleculeId	963528
chemicalCompound:mwFreebase	367.238
chemicalCompound:alogp	2.67
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	68.29
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.84
chemicalCompound:acdLogP	2.759
chemicalCompound:acdLogD	2.759
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	367.238
chemicalCompound:acdMostBpk...	0.624
chemicalCompound:chemblId	CHEMBL1539644
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1063528
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:4143352, activity:4298047, activity:4464590, activity:4794434, activity:4997022, activity:5045753, activity:5588377, activity:5681246, activity:6509048