297752

Source:http://linkedlifedata.com/resource/chembl/compound/297752

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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/C12H8FN3S/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
chemicalCompound:standardIn...	WHRWMQBGUPTYQB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(Sc2[nH]cnc3nccc23)cc1
chemicalCompound:molecularF...	C12 H8 F N3 S
chemicalCompound:moleculeId	297752
chemicalCompound:mwFreebase	245.275
chemicalCompound:alogp	2.547
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	66.87
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.727
chemicalCompound:acdLogD	-0.272
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	245.275
chemicalCompound:acdMostBpk...	11.784
chemicalCompound:chemblId	CHEMBL367533
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:397752
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:1406928, activity:1406929, activity:1406930, activity:1407027, activity:1407028, activity:1407029, activity:1407030, activity:1407031, activity:1407032, activity:1407033, activity:1407034, activity:1407035, activity:1407036, activity:1407037, activity:1407038