822540

Source:http://linkedlifedata.com/resource/chembl/compound/822540

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Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:822540	rdf:type	chembl:ChemicalCompound	lld:chembl
chemicalCompound:822540	chemicalCompound:standardIn...	InChI=1S/C14H18N4O4S/c1-18(23(20,21)14-8-15-10-17-14)9-13(19)16-7-11-4-3-5-12(6-11)22-2/h3-6,8,10H,7,9H2,1-2H3,(H,15,17)(H,16,19)	lld:chembl
chemicalCompound:822540	chemicalCompound:standardIn...	XTCWZDFKBNCHLM-UHFFFAOYSA-N	lld:chembl
chemicalCompound:822540	chemicalCompound:canonicalS...	COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)c1	lld:chembl
chemicalCompound:822540	chemicalCompound:molecularF...	C14H18N4O4S	lld:chembl
chemicalCompound:822540	chemicalCompound:moleculeId	822540	lld:chembl
chemicalCompound:822540	chemicalCompound:mwFreebase	338.382	lld:chembl
chemicalCompound:822540	chemicalCompound:alogp	0	lld:chembl
chemicalCompound:822540	chemicalCompound:hba	5	lld:chembl
chemicalCompound:822540	chemicalCompound:hbd	2	lld:chembl
chemicalCompound:822540	chemicalCompound:psa	112.77	lld:chembl
chemicalCompound:822540	chemicalCompound:rtb	7	lld:chembl
chemicalCompound:822540	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:822540	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:822540	chemicalCompound:medChemFri...	Y	lld:chembl
chemicalCompound:822540	chemicalCompound:acdMostApk...	9.77	lld:chembl
chemicalCompound:822540	chemicalCompound:acdLogP	1.076	lld:chembl
chemicalCompound:822540	chemicalCompound:acdLogD	1.074	lld:chembl
chemicalCompound:822540	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:822540	chemicalCompound:fullMwt	338.382	lld:chembl
chemicalCompound:822540	chemicalCompound:acdMostBpk...	1.955	lld:chembl
chemicalCompound:822540	chemicalCompound:chemblId	CHEMBL1398656	lld:chembl
chemicalCompound:822540	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:822540	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:822540	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:822540	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:822540	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:822540	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:822540	chemicalCompound:oral	No	lld:chembl
chemicalCompound:822540	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:822540	chemicalCompound:topical	No	lld:chembl
chemicalCompound:822540	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:822540	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:822540	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:822540	chemicalCompound:activity	activity:3630487	lld:chembl
chemicalCompound:822540	chemicalCompound:activity	activity:4299898	lld:chembl
chemicalCompound:822540	chemicalCompound:activity	activity:5408406	lld:chembl
chemicalCompound:822540	chemicalCompound:activity	activity:6570140	lld:chembl
chemicalCompound:822540	chemicalCompound:activity	activity:7165441	lld:chembl
http://linkedlifedata.com/r...	http://linkedlifedata.com/r...	chemicalCompound:822540	lld:chembl