783638

Source:http://linkedlifedata.com/resource/chembl/compound/783638

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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/C9H6BrNO3S/c10-5-1-2-6-7(3-5)14-9(11-6)15-4-8(12)13/h1-3H,4H2,(H,12,13)
chemicalCompound:standardIn...	FREHPZUELKGFKT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CSc1oc2cc(Br)ccc2n1
chemicalCompound:molecularF...	C9H6BrNO3S
chemicalCompound:moleculeId	783638
chemicalCompound:mwFreebase	288.118
chemicalCompound:alogp	2.668
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	88.63
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.184
chemicalCompound:acdLogP	2.722
chemicalCompound:acdLogD	-0.936
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	288.118
chemicalCompound:chemblId	CHEMBL1359754
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:883638
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:4909715