548753

Source:http://linkedlifedata.com/resource/chembl/compound/548753

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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:662403
chemicalCompound:standardIn...	InChI=1S/C8H8N4S.ClH/c9-10-8-12-11-7(13-8)6-4-2-1-3-5-6;/h1-5H,9H2,(H,10,12);1H
chemicalCompound:standardIn...	XCKDRNFOLCMMPW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NNc1nnc(s1)c2ccccc2
chemicalCompound:molecularF...	C8H9ClN4S
chemicalCompound:moleculeId	548753
chemicalCompound:mwFreebase	192.241
chemicalCompound:alogp	0.867
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	92.07
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.415
chemicalCompound:acdLogD	2.415
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	228.702
chemicalCompound:acdMostBpk...	2.662
chemicalCompound:chemblId	CHEMBL536479
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:648753
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:738440