261570

Source:http://linkedlifedata.com/resource/chembl/compound/261570

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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/C12H14BrN3O2/c1-2-18-12(17)16-11-14-7-10(15-11)8-4-3-5-9(13)6-8/h3-6,10H,2,7H2,1H3,(H2,14,15,16,17)
chemicalCompound:standardIn...	WOYOLYXAIJIZMA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)NC1=NC(CN1)c2cccc(Br)c2
chemicalCompound:molecularF...	C12 H14 Br N3 O2
chemicalCompound:moleculeId	261570
chemicalCompound:mwFreebase	312.162
chemicalCompound:alogp	2.585
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	62.72
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.237
chemicalCompound:acdLogP	3.259
chemicalCompound:acdLogD	3.113
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	312.162
chemicalCompound:acdMostBpk...	6.986
chemicalCompound:chemblId	CHEMBL157547
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:361570
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:792684, activity:792685, activity:792686, activity:792687