22144

Source:http://linkedlifedata.com/resource/chembl/compound/22144

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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/C11H11BrN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
chemicalCompound:standardIn...	OXZQHMIUOCASIG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncc(Cc2cccc(Br)c2)c(N)n1
chemicalCompound:molecularF...	C11 H11 Br N4
chemicalCompound:moleculeId	22144
chemicalCompound:mwFreebase	279.136
chemicalCompound:alogp	2.341
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	77.81
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.26
chemicalCompound:acdLogD	2.107
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	279.136
chemicalCompound:acdMostBpk...	7.021
chemicalCompound:chemblId	CHEMBL18898
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:122144
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:50309, activity:50310, activity:126586, activity:360235, activity:395876, activity:395877, activity:499752, activity:584870, activity:633716, activity:667801, activity:670545, activity:886505, activity:983505, activity:983506, activity:1008958, activity:1008959, activity:1016929, activity:1016930, activity:1016931, activity:1016932, activity:1073594, activity:1073595, activity:1153393