633553

Source:http://linkedlifedata.com/resource/chembl/compound/633553

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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/C11H6F3N3O3S/c12-11(13,14)7-3-1-2-6(4-7)9(18)16-10-15-5-8(21-10)17(19)20/h1-5H,(H,15,16,18)
chemicalCompound:standardIn...	FAIOICMZUMKERA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cnc(NC(=O)c2cccc(c2)C(F)(F)F)s1
chemicalCompound:molecularF...	C11H6F3N3O3S
chemicalCompound:moleculeId	633553
chemicalCompound:mwFreebase	317.244
chemicalCompound:alogp	2.573
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	116.04
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.899
chemicalCompound:acdLogP	4.179
chemicalCompound:acdLogD	2.784
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	317.244
chemicalCompound:chemblId	CHEMBL1082353
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:733553
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:3303004, activity:3303019, activity:3303034, activity:3303049