701710

Source:http://linkedlifedata.com/resource/chembl/compound/701710

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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/C16H11BrN2O2S/c17-14-13(10-6-2-1-3-7-10)18-16(22-14)19-15(21)11-8-4-5-9-12(11)20/h1-9,20H,(H,18,19,21)
chemicalCompound:standardIn...	AMSQYUDLLDKJAJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccccc1C(=O)Nc2nc(c(Br)s2)c3ccccc3
chemicalCompound:molecularF...	C16H11BrN2O2S
chemicalCompound:moleculeId	701710
chemicalCompound:mwFreebase	375.24
chemicalCompound:alogp	3.884
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	90.46
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.773
chemicalCompound:acdLogP	6.069
chemicalCompound:acdLogD	5.208
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	375.24
chemicalCompound:chemblId	CHEMBL1242480
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:801710
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:3454897, activity:3454937, activity:3454966, activity:3454996, activity:8005758, activity:8005774, activity:8006436, activity:8006464, activity:8006500, activity:8006534, activity:8006559