1023196

Source:http://linkedlifedata.com/resource/chembl/compound/1023196

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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/C15H11N3O6S/c16-25(22,23)10-4-1-8(2-5-10)12-6-3-9(24-12)7-11-13(19)17-15(21)18-14(11)20/h1-7H,(H2,16,22,23)(H2,17,18,19,20,21)
chemicalCompound:standardIn...	YTHPYZAUZRMLDM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NS(=O)(=O)c1ccc(cc1)c2oc(C=C3C(=O)NC(=O)NC3=O)cc2
chemicalCompound:molecularF...	C15H11N3O6S
chemicalCompound:moleculeId	1023196
chemicalCompound:mwFreebase	361.329
chemicalCompound:alogp	0.774
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	156.95
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.87
chemicalCompound:acdLogP	-0.648
chemicalCompound:acdLogD	-1.278
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	361.329
chemicalCompound:chemblId	CHEMBL1599312
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1123196
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:4321460, activity:4351438, activity:4384559, activity:4475450, activity:4573682, activity:5353676, activity:5501732, activity:5503388, activity:5707973, activity:6429710, activity:6548333, activity:6718973, activity:6758142, activity:6845940, activity:6877278, activity:7066598, activity:7067477, activity:7169514, activity:7407160, activity:7464662, activity:9791630, activity:10430965, activity:10433717