963808

Source:http://linkedlifedata.com/resource/chembl/compound/963808

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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/C16H10ClN3O3S/c17-12-6-1-2-7-13(12)18-16-19-15(21)14(24-16)9-10-4-3-5-11(8-10)20(22)23/h1-9H,(H,18,19,21)/b14-9-
chemicalCompound:standardIn...	LKLJQQGAAVKYNB-ZROIWOOFSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cccc(\C=C\2/SC(=NC2=O)Nc3ccccc3Cl)c1
chemicalCompound:molecularF...	C16H10ClN3O3S
chemicalCompound:moleculeId	963808
chemicalCompound:mwFreebase	359.787
chemicalCompound:alogp	4.338
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	112.58
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.061
chemicalCompound:acdLogD	3.061
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	359.787
chemicalCompound:chemblId	CHEMBL1539924
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1063808
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:4436908, activity:4565426, activity:4648394, activity:4806395, activity:4886652, activity:5350595, activity:5701093, activity:5795679, activity:6429499, activity:6524082, activity:6974410, activity:7003741, activity:7201335, activity:7288991, activity:7483572