700613

Source:http://linkedlifedata.com/resource/chembl/compound/700613

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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/C10H7BrN2O2S/c11-8-5-12-10(16-8)13-9(15)6-3-1-2-4-7(6)14/h1-5,14H,(H,12,13,15)
chemicalCompound:standardIn...	GPUVRNFAQGVNPJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccccc1C(=O)Nc2ncc(Br)s2
chemicalCompound:molecularF...	C10H7BrN2O2S
chemicalCompound:moleculeId	700613
chemicalCompound:mwFreebase	299.144
chemicalCompound:alogp	1.937
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	90.46
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.949
chemicalCompound:acdLogP	4.199
chemicalCompound:acdLogD	3.471
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	299.144
chemicalCompound:acdMostBpk...	0.602
chemicalCompound:chemblId	CHEMBL1241394
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:800613
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:3454892, activity:3454932, activity:3454991, activity:6273174, activity:6273230, activity:6273245, activity:6273877, activity:6273902, activity:6273927, activity:6273945, activity:8005734, activity:8005751, activity:8005767, activity:8005783, activity:8006447, activity:8006482, activity:8006516, activity:8006550