568810

Source:http://linkedlifedata.com/resource/chembl/compound/568810

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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/C17H15N5O2S/c23-8-10-3-4-11(6-10)22-9-18-14-15(22)20-17-19-12(7-21(17)16(14)24)13-2-1-5-25-13/h1-5,7,9-11,23H,6,8H2,(H,19,20)/t10-,11+/m1/s1
chemicalCompound:standardIn...	QLBZQIQALCPIGV-MNOVXSKESA-N
chemicalCompound:canonicalS...	OC[C@H]1C[C@H](C=C1)n2cnc3C(=O)N4C=C(NC4=Nc23)c5cccs5
chemicalCompound:molecularF...	C17H15N5O2S
chemicalCompound:moleculeId	568810
chemicalCompound:mwFreebase	353.398
chemicalCompound:alogp	0.786
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	110.99
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	-0.009
chemicalCompound:acdLogD	-0.009
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	353.398
chemicalCompound:acdMostBpk...	2.978
chemicalCompound:chemblId	CHEMBL573139
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668810
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:2909816, activity:2909838, activity:2909879, activity:2909909, activity:2917789, activity:2917823, activity:2917854