548756

Source:http://linkedlifedata.com/resource/chembl/compound/548756

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:662482
chemicalCompound:standardIn...	InChI=1S/C9H9FN4S.ClH/c1-5-2-3-6(10)4-7(5)8-13-14-9(12-11)15-8;/h2-4H,11H2,1H3,(H,12,14);1H
chemicalCompound:standardIn...	PUXBHSSYCSRKAD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1ccc(F)cc1c2nnc(NN)s2
chemicalCompound:molecularF...	C9H10ClFN4S
chemicalCompound:moleculeId	548756
chemicalCompound:mwFreebase	224.258
chemicalCompound:alogp	1.559
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	92.07
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.967
chemicalCompound:acdLogD	2.967
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	260.719
chemicalCompound:acdMostBpk...	2.624
chemicalCompound:chemblId	CHEMBL536710
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:648756
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:752269