52962

Source:http://linkedlifedata.com/resource/chembl/compound/52962

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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/C15H15BrN4O2/c1-2-3-8-20-14(21)11-13(19-15(20)22)18-12(17-11)9-4-6-10(16)7-5-9/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,22)
chemicalCompound:standardIn...	RXFILCYMWCQBBJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCN1C(=O)Nc2[nH]c(nc2C1=O)c3ccc(Br)cc3
chemicalCompound:molecularF...	C15 H15 Br N4 O2
chemicalCompound:moleculeId	52962
chemicalCompound:mwFreebase	363.209
chemicalCompound:alogp	3.213
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	78.09
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.416
chemicalCompound:acdLogP	3.779
chemicalCompound:acdLogD	3.676
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	363.209
chemicalCompound:acdMostBpk...	0.409
chemicalCompound:chemblId	CHEMBL34762
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:152962
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:805069, activity:805070, activity:805071, activity:805072, activity:805073, activity:805074, activity:805075