142942

Source:http://linkedlifedata.com/resource/chembl/compound/142942

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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/C10H13BrN4O2/c1-5(2)4-15-7-6(12-9(11)13-7)8(16)14(3)10(15)17/h5H,4H2,1-3H3,(H,12,13)
chemicalCompound:standardIn...	JCAIYNMCEMWPAD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)CN1C(=O)N(C)C(=O)c2[nH]c(Br)nc12
chemicalCompound:molecularF...	C10 H13 Br N4 O2
chemicalCompound:moleculeId	142942
chemicalCompound:mwFreebase	301.14
chemicalCompound:alogp	1.871
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	69.3
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.019
chemicalCompound:acdLogP	1.391
chemicalCompound:acdLogD	0.086
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	301.14
chemicalCompound:chemblId	CHEMBL314959
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:242942
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:880602, activity:880603