623026

Source:http://linkedlifedata.com/resource/chembl/compound/623026

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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/C14H13N5OS2/c1-2-3-6-18-12-10(22-14(18)21)13-16-11(9-5-4-7-20-9)17-19(13)8-15-12/h4-5,7-8H,2-3,6H2,1H3
chemicalCompound:standardIn...	QHFYRCHXHNWYCV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCN1C(=S)Sc2c1ncn3nc(nc23)c4occc4
chemicalCompound:molecularF...	C14H13N5OS2
chemicalCompound:moleculeId	623026
chemicalCompound:mwFreebase	331.416
chemicalCompound:alogp	4.673
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	116.85
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.12
chemicalCompound:acdLogD	4.12
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	331.416
chemicalCompound:chemblId	CHEMBL1092270
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:723026
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:3243703, activity:3243715, activity:3243727, activity:3243743, activity:3243744, activity:3243745, activity:3243746, activity:3243747, activity:3243748, activity:3243756