127641

Source:http://linkedlifedata.com/resource/chembl/compound/127641

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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/C18H16BrN3O5S2/c1-27-13-4-6-14(7-5-13)29(25,26)22(10-12-3-2-8-20-9-12)16-15(18(23)21-24)11-28-17(16)19/h2-9,11,24H,10H2,1H3,(H,21,23)
chemicalCompound:standardIn...	OCVZODLPTGAJKD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)S(=O)(=O)N(Cc2cccnc2)c3c(Br)scc3C(=O)NO
chemicalCompound:molecularF...	C18 H16 Br N3 O5 S2
chemicalCompound:moleculeId	127641
chemicalCompound:mwFreebase	498.371
chemicalCompound:alogp	2.185
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	145.44
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.797
chemicalCompound:acdLogP	0.145
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	498.371
chemicalCompound:acdMostBpk...	4.316
chemicalCompound:chemblId	CHEMBL82487
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:227641
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:899917, activity:899918, activity:899919, activity:899920