622934

Source:http://linkedlifedata.com/resource/chembl/compound/622934

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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/C13H11N5OS2/c1-2-5-17-11-9(21-13(17)20)12-15-10(8-4-3-6-19-8)16-18(12)7-14-11/h3-4,6-7H,2,5H2,1H3
chemicalCompound:standardIn...	FCQXBWILDPXQBD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=S)Sc2c1ncn3nc(nc23)c4occc4
chemicalCompound:molecularF...	C13H11N5OS2
chemicalCompound:moleculeId	622934
chemicalCompound:mwFreebase	317.389
chemicalCompound:alogp	4.217
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	116.85
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.611
chemicalCompound:acdLogD	3.611
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	317.389
chemicalCompound:chemblId	CHEMBL1093270
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:722934
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:3243702, activity:3243714, activity:3243726, activity:3243737, activity:3243738, activity:3243739, activity:3243740, activity:3243741, activity:3243742, activity:3243755