149733

Source:http://linkedlifedata.com/resource/chembl/compound/149733

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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/C6H9N3S/c7-6(8)9-4-5-2-1-3-10-5/h1-3H,4H2,(H4,7,8,9)
chemicalCompound:standardIn...	PUKXJLPQHIYTCF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)NCc1cccs1
chemicalCompound:molecularF...	C6H9N3S
chemicalCompound:moleculeId	149733
chemicalCompound:mwFreebase	155.221
chemicalCompound:alogp	0.541
chemicalCompound:hba	1
chemicalCompound:hbd	3
chemicalCompound:psa	90.14
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.977
chemicalCompound:acdLogD	-1.022
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	155.221
chemicalCompound:acdMostBpk...	11.85
chemicalCompound:chemblId	CHEMBL93064
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:249733
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:642092, activity:2009663, activity:2009685, activity:2009697, activity:2009705, activity:2009707, activity:2009709, activity:2009753, activity:2009770, activity:2009787, activity:2621780, activity:2621781, activity:2621782, activity:2621827, activity:2621840, activity:2621853, activity:2621866, activity:2621879, activity:2621892, activity:2621905, activity:2621918, activity:2621931, activity:2621944, activity:2621957, activity:2622073, activity:2622077