827078

Source:http://linkedlifedata.com/resource/chembl/compound/827078

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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/C14H12N4OS/c1-19-12-7-3-2-6-11(12)18-13(16-17-14(18)20)10-5-4-8-15-9-10/h2-9H,1H3,(H,17,20)
chemicalCompound:standardIn...	BWOFUYLNEVGZJN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1n2c(S)nnc2c3cccnc3
chemicalCompound:molecularF...	C14H12N4OS
chemicalCompound:moleculeId	827078
chemicalCompound:mwFreebase	284.336
chemicalCompound:alogp	2.636
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	91.63
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.591
chemicalCompound:acdLogD	0.672
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	284.336
chemicalCompound:acdMostBpk...	5.37
chemicalCompound:chemblId	CHEMBL1403194
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:927078
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:3886265, activity:3894844, activity:4150081, activity:4280560, activity:4387333, activity:5387612, activity:5759127, activity:6711665, activity:6871326, activity:7238648