1026358

Source:http://linkedlifedata.com/resource/chembl/compound/1026358

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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/C11H13N3OS/c1-7-4-3-5-9(8(7)2)15-6-10-13-14-11(12)16-10/h3-5H,6H2,1-2H3,(H2,12,14)
chemicalCompound:standardIn...	QGXXUPNUTLOJFQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(OCc2nnc(N)s2)c1C
chemicalCompound:molecularF...	C11H13N3OS
chemicalCompound:moleculeId	1026358
chemicalCompound:mwFreebase	235.305
chemicalCompound:alogp	2.29
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	89.27
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.422
chemicalCompound:acdLogD	2.422
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	235.305
chemicalCompound:acdMostBpk...	2.882
chemicalCompound:chemblId	CHEMBL1602474
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1126358
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:4487934, activity:4526823, activity:5557759, activity:5603022, activity:6683013, activity:7078574