1162591

Source:http://linkedlifedata.com/resource/chembl/compound/1162591

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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/C11H7N3O2S/c12-5-7-6-13-11(17-7)14-10(16)8-3-1-2-4-9(8)15/h1-4,6,15H,(H,13,14,16)
chemicalCompound:standardIn...	MDUJGGWXRNJXDC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccccc1C(=O)Nc2ncc(C#N)s2
chemicalCompound:molecularF...	C11H7N3O2S
chemicalCompound:moleculeId	1162591
chemicalCompound:mwFreebase	245.257
chemicalCompound:alogp	1.54
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	114.25
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.836
chemicalCompound:acdLogP	2.459
chemicalCompound:acdLogD	1.647
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	245.257
chemicalCompound:chemblId	CHEMBL1801516
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1262591
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:6273184, activity:6273236, activity:6273249, activity:6273888, activity:6273913, activity:6273934, activity:6273952, activity:8005757, activity:8005773, activity:8006435, activity:8006463, activity:8006499, activity:8006535, activity:8006560