739889

Source:http://linkedlifedata.com/resource/chembl/compound/739889

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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/C19H16N6OS/c1-13-6-2-3-7-14(13)21-18(26)12-27-19-23-22-17-10-9-16(24-25(17)19)15-8-4-5-11-20-15/h2-11H,12H2,1H3,(H,21,26)
chemicalCompound:standardIn...	LWPUADCZPHLWFK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccccc1NC(=O)CSc2nnc3ccc(nn23)c4ccccn4
chemicalCompound:molecularF...	C19H16N6OS
chemicalCompound:moleculeId	739889
chemicalCompound:mwFreebase	376.435
chemicalCompound:alogp	3.568
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	110.37
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.778
chemicalCompound:acdLogP	2.994
chemicalCompound:acdLogD	2.994
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	376.435
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL1316005
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:839889
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:4270031, activity:10672586