261955

Source:http://linkedlifedata.com/resource/chembl/compound/261955

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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/C11H12BrN3O2/c1-17-11(16)15-10-13-6-9(14-10)7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3,(H2,13,14,15,16)
chemicalCompound:standardIn...	RTYJWDZSWWGYNI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)NC1=NC(CN1)c2cccc(Br)c2
chemicalCompound:molecularF...	C11 H12 Br N3 O2
chemicalCompound:moleculeId	261955
chemicalCompound:mwFreebase	298.136
chemicalCompound:alogp	2.236
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	62.72
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.989
chemicalCompound:acdLogP	2.749
chemicalCompound:acdLogD	2.538
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	298.136
chemicalCompound:acdMostBpk...	6.986
chemicalCompound:chemblId	CHEMBL155841
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:361955
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:799487, activity:799488, activity:799489, activity:799490, activity:799491, activity:799492