954877

Source:http://linkedlifedata.com/resource/chembl/compound/954877

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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/C18H16N4OS/c1-13-5-7-14(8-6-13)20-17(23)12-24-18-10-9-16(21-22-18)15-4-2-3-11-19-15/h2-11H,12H2,1H3,(H,20,23)
chemicalCompound:standardIn...	PUTYLHNGZHEKDG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(NC(=O)CSc2ccc(nn2)c3ccccn3)cc1
chemicalCompound:molecularF...	C18H16N4OS
chemicalCompound:moleculeId	954877
chemicalCompound:mwFreebase	336.411
chemicalCompound:alogp	3.64
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	93.07
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.913
chemicalCompound:acdLogP	2.737
chemicalCompound:acdLogD	2.737
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.411
chemicalCompound:acdMostBpk...	0.885
chemicalCompound:chemblId	CHEMBL1530993
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1054877
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:3757039, activity:3867416, activity:4415562, activity:4886829, activity:5359474, activity:5424937, activity:5650310, activity:5802952, activity:5891018, activity:5970506, activity:6509519, activity:6935783, activity:7103484, activity:7307219, activity:7354201