756436

Source:http://linkedlifedata.com/resource/chembl/compound/756436

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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/C15H12N4O3S/c20-13(16-11-6-2-1-5-10(11)14(21)22)9-23-15-18-17-12-7-3-4-8-19(12)15/h1-8H,9H2,(H,16,20)(H,21,22)
chemicalCompound:standardIn...	OYCZHQKZMISKLL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccccc1NC(=O)CSc2nnc3ccccn23
chemicalCompound:molecularF...	C15H12N4O3S
chemicalCompound:moleculeId	756436
chemicalCompound:mwFreebase	328.346
chemicalCompound:alogp	1.954
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	121.89
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.188
chemicalCompound:acdLogP	3.09
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	328.346
chemicalCompound:acdMostBpk...	1.719
chemicalCompound:chemblId	CHEMBL1332552
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:856436
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:3708118, activity:5640474, activity:6613685, activity:7165289